INSTRUCTION stringlengths 285 6.82k | RESPONSE stringlengths 44 24.5k |
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Here is a chemical reaction formula: Reactants are amine:CC(C)N1CCNCC1, amount is: 0.001769999973475933 MOLE;aryl halide:CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(=O)OCC)Br, amount is: 0.0008859999943524599 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.002219999907538295 MOLE,this reaction does ... | The condition of this chemical reaction is: To a solution of ethyl 6-bromo-4-(2,4-difluorophenylamino)-7-ethoxyquinoline-3-carboxylate (400 mg, 0.89 mmol) and 1-(Isopropyl)piperazine (254 µl, 1.77 mmol) in dioxane was added cesium carbonate (722 mg, 2.22 mmol), tris(dibenzylideneacetone)dipalladium(0) (40.6 mg, 0.04 mm... |
Here is a chemical reaction formula: Reactants are amine:CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC, amount is: 0.007619999814778566 MOLE;aryl halide:C1=CC=C(C=C1)I, amount is: 0.009139999747276306 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01899999938905239 MOLE,Solvents are Solvent:COC1=CC=CC=C1, amount is... | The condition of this chemical reaction is: 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (441 mg, 0.76 mmol) and Tris(dibenzylideneacetone)dipalladium(0) (279 mg, 0.30 mmol) were added to a round bottom flask which was evacuated and flushed with nitrogen 3 times, anisole (16.600 ml) was added and the mixture evacuat... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=CC=C(C=C1)I, amount is: 0.008059999905526638 MOLE;amine:CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC, amount is: 0.006719999946653843 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01679999940097332 MOLE,Solvents are Solvent:COC1=CC=CC=C1, amount is... | The condition of this chemical reaction is: 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (389 mg, 0.67 mmol) and Tris(dibenzylideneacetone)dipalladium(0) (246 mg, 0.27 mmol) were added to a round bottom flask which was evacuated and flushed with nitrogen 3 times, anisole (14.900 ml) was added and the mixture evacuat... |
Here is a chemical reaction formula: Reactants are amine:CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC, amount is: 0.006719999946653843 MOLE;aryl halide:C1=CC=C(C=C1)I, amount is: 0.008059999905526638 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01679999940097332 MOLE,Solvents are Solvent:COC1=CC=CC=C1, amount is... | The condition of this chemical reaction is: 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (389 mg, 0.67 mmol) and Tris(dibenzylideneacetone)dipalladium(0) (246 mg, 0.27 mmol) were added to a round bottom flask which was evacuated and flushed with nitrogen 3 times, anisole (14.900 ml) was added and the mixture evacuat... |
Here is a chemical reaction formula: Reactants are amine:C1=CC(=CC=C1N)S(=O)(=O)N, amount is: 0.03579999879002571 MOLE;aryl halide:CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C, amount is: 0.02759999968111515 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0027600000612437725 MOLE,Solvents are Solvent:CC(=O)N(C)C,... | The condition of this chemical reaction is: 3-(2-chloropyridin-4-yloxy)-2,6-dimethylpyridine (6.47 g, 27.57 mmol), Sulfanilamide (6.17 g, 35.84 mmol), CESIUM CARBONATE (13.47 g, 41.35 mmol) and XANTPHOS (1.595 g, 2.76 mmol) were stirred in DMA (130 ml). Purged this stirred mixture by bubbling nitrogen through for an h... |
Here is a chemical reaction formula: Reactants are amine:C1=CC(=CC=C1N)S(=O)(=O)N, amount is: 0.055399999022483826 MOLE;aryl halide:CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C, amount is: 0.04259999841451645 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.004259999841451645 MOLE,Solvents are Solvent:CC(=O)N(C)C,... | The condition of this chemical reaction is: XANTPHOS (2.466 g, 4.26 mmol) was added to 3-(2-chloropyridin-4-yloxy)-2,6-dimethylpyridine (10g, 42.61 mmol), Sulfanilamide (9.54 g, 55.39 mmol) and CESIUM CARBONATE (20.83 g, 63.92 mmol) in DMA (200 ml) at 20ºC. Nitrogen was bubbled through the reaction mixture for 1 hour t... |
Here is a chemical reaction formula: Reactants are amine:C1=CC(=CC=C1N)S(=O)(=O)N, amount is: 0.011099999770522118 MOLE;aryl halide:CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C, amount is: 0.00851999968290329 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.000846999988425523 MOLE,Solvents are Solvent:CC(=O)N(C)C,... | The condition of this chemical reaction is: 3-(2-chloropyridin-4-yloxy)-2,6-dimethylpyridine (2 g, 8.52 mmol), Sulfanilamide (1.91 g, 11.09 mmol), CESIUM CARBONATE (4.17 g, 12.80 mmol) and XANTPHOS (490 mg, 0.85 mmol) were stirred in DMA (40 ml). Purged this stirred mixture by bubbling nitrogen through for an hour, th... |
Here is a chemical reaction formula: Reactants are amine:C1=CC(=CC=C1N)S(=O)(=O)N, amount is: 0.035999998450279236 MOLE;aryl halide:CC1=NC(=C(C=C1)OC2=CC(=NC=C2)Cl)C, amount is: 0.027699999511241913 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0027699999045580626 MOLE,Solvents are Solvent:CC(=O)N(C)... | The condition of this chemical reaction is: XANTPHOS (1.603 g, 2.77 mmol) was added to 3-(2-chloropyridin-4-yloxy)-2,6-dimethylpyridine (6.5 g, 27.70 mmol), Sulfanilamide (6.20 g, 36.01 mmol) and CESIUM CARBONATE (13.54 g, 41.55 mmol) in DMA (130 ml) at 20ºC. Nitrogen was bubbled through the reaction mixture for 1 hour... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CCNCC1, amount is: 0.0057299998588860035 MOLE;aryl halide:C1=C(C=NC=C1Br)Br, amount is: 0.005200000014156103 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.015599999576807022 MOLE,this reaction does not need solvents,Catalysts are metal ... | The condition of this chemical reaction is: 3,5-dibromopyridine (1.233 g, 5.20 mmol), 1-(piperazin-1-yl)ethanone (0.734 g, 5.73 mmol), PdOAc2 (0.117 g, 0.52 mmol), XANTPHOS (0.361 g, 0.62 mmol), Cs2CO3 (5.09 g, 15.61 mmol), 1,4-dioxane as added to a 10 mL microwave vial. This was degassed and refilled with N2 and then ... |
Here is a chemical reaction formula: Reactants are amine:C1=CC(=CC=C1N)N2C=CN=C2, amount is: 0.00043700000969693065 MOLE;aryl halide:CN1CC(OC2=C(C1)C=CC(=N2)Cl)C3=CC=CC=C3, amount is: 0.00043700000969693065 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0013099999632686377 MOLE,Solvents are Solvent:CO... | The condition of this chemical reaction is: [Reactants], 8-chloro-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (0.120 g, 0.44 mmol), Palladium(II) acetate (9.81 mg, 0.04 mmol), 2-(Dicyclohexylphosphino)biphenyl (0.015 g, 0.04 mmol) and Cesium carbonate (0.427 g, 1.31 mmol) in DME (2.5 mL) were placed... |
Here is a chemical reaction formula: Reactants are aryl halide:CC(=O)N1CC(OC2=C(C1)C=CC(=N2)Cl)C3=CN=CC=C3, amount is: 0.00014200000441633165 MOLE;amine:CC1=CN(C=N1)C2=C(C=C(C=C2)N)OC, amount is: 0.00016999999934341758 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0004250000056345016 MOLE,Solvents ar... | The condition of this chemical reaction is: 1-(8-chloro-2-(pyridin-3-yl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanone (0.043 g, 0.14 mmol), Palladium(II) acetate (3.18 mg, 0.01 mmol), 2-(Dicyclohexylphosphino)biphenyl (4.96 mg, 0.01 mmol) and Cesium carbonate (0.138 g, 0.42 mmol) were placed in a microwave v... |
Here is a chemical reaction formula: Reactants are aryl halide:CN1CC(OC2=C(C1)C=CC(=N2)Cl)C3=CN=CC=C3, amount is: 0.00023600000713486224 MOLE;amine:CC1=CN(C=N1)C2=C(C=C(C=C2)N)OC, amount is: 0.0002589999930933118 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0007070000283420086 MOLE,Solvents are Solv... | The condition of this chemical reaction is: [Reactants], Palladium(II) acetate (5.29 mg, 0.02 mmol), 2-(Dicyclohexylphosphino)biphenyl (8.26 mg, 0.02 mmol) and Cesium carbonate (0.230 g, 0.71 mmol) were placed in a microwave vial and flushed with argon. DME (2 mL) was added and the reaction mixture was run in the micro... |
Here is a chemical reaction formula: Reactants are amine:CC(C)(C)OC(=O)N, amount is: 0.0010499999625608325 MOLE;aryl halide:C1=CN=C(C=C1F)Cl, amount is: 0.0010000000474974513 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 7.999999797903001e-05 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Catalyst... | The condition of this chemical reaction is: 2-chloro-4-fluoropyridine (132 mg, 1 mmol), tert-butyl carbamate (123 mg, 1.05 mmol), CESIUM CARBONATE (652 mg, 2.00 mmol) ,TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (36.6 mg, 0.04 mmol) and 9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE (46.3 mg, 0.08 mmol) were suspended in 1,... |
Here is a chemical reaction formula: Reactants are amine:COC1=C(C=CC(=C1)C=O)N, amount is: 0.037700001150369644 MOLE;aryl halide:C1=CC2=NC=C(N2C=C1)C3=NC(=NC=C3Cl)Cl, amount is: 0.01510000042617321 MOLE,Reagents are Base:C1CCC2=NCCCN2CC1, amount is: 0.001509999972768128 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: 3-(2,5-dichloropyrimidin-4-yl)imidazo[1,2-a]pyridine (4 g, 15.09 mmol), 4-amino-3-methoxybenzaldehyde (2.281 g, 15.09 mmol), 9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE (0.873 g, 1.51 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (0.345 g, 0.38 mmol) and 1,8-DIAZABICYCLO [... |
Here is a chemical reaction formula: Reactants are aryl halide:C1COCCN1CC2=CC(=C(C=C2)Br)F, amount is: 0.0003969999961555004 MOLE;amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00036100001307204366 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0007210000185295939 MOLE,Solvents are Solvent:CC1=CC=CC=... | The condition of this chemical reaction is: The aim of the reaction is test/optimization: 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (100 mg, 0.36 mmol), 4-(4-bromo-3-fluorobenzyl)morpholine (109 mg, 0.40 mmol), Palladium, 10% On Charcoal (115 mg, 0.11 mmol), racemic-2,2'-Bis(... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00036100001307204366 MOLE;aryl halide:C1COCCN1CC2=CC(=C(C=C2)Br)F, amount is: 0.0003969999961555004 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0007210000185295939 MOLE,Solvents are Solvent:CC1=CC=CC=... | The condition of this chemical reaction is: The aim of the reaction is test/optimization: 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (100 mg, 0.36 mmol), 4-(4-bromo-3-fluorobenzyl)morpholine (109 mg, 0.40 mmol), Palladium, 10% On Charcoal (115 mg, 0.11 mmol), Tri-o-tolylphosph... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00036100001307204366 MOLE;aryl halide:C1COCCN1CC2=CC(=C(C=C2)Br)F, amount is: 0.0003969999961555004 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0007210000185295939 MOLE,Solvents are Solvent:CC1=CC=CC=... | The condition of this chemical reaction is: The aim of the reaction is test/optimization: 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (100 mg, 0.36 mmol), 4-(4-bromo-3-fluorobenzyl)morpholine (109 mg, 0.40 mmol), Palladium, 10% On Charcoal (115 mg, 0.11 mmol), Triphenylphosphin... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00036100001307204366 MOLE;aryl halide:C1COCCN1CC2=CC(=C(C=C2)Br)F, amount is: 0.0003969999961555004 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0007210000185295939 MOLE,Solvents are Solvent:CC1=CC=CC=... | The condition of this chemical reaction is: The aim of the reaction is test/optimization: 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (100 mg, 0.36 mmol), 4-(4-bromo-3-fluorobenzyl)morpholine (109 mg, 0.40 mmol), Palladium, 10% On Charcoal (115 mg, 0.11 mmol), (R)-(-)-1-[(S)-2-... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00036100001307204366 MOLE;aryl halide:C1COCCN1CC2=CC(=C(C=C2)Br)F, amount is: 0.0003969999961555004 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0007210000185295939 MOLE,Solvents are Solvent:CC1=CC=CC=... | The condition of this chemical reaction is: The aim of the reaction is test/optimization: 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (100 mg, 0.36 mmol), 4-(4-bromo-3-fluorobenzyl)morpholine (109 mg, 0.40 mmol), Palladium, 10% On Charcoal (115 mg, 0.11 mmol), 9,9-Dimethyl-4,5-... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00036100001307204366 MOLE;aryl halide:C1COCCN1CC2=CC(=C(C=C2)Br)F, amount is: 0.0003969999961555004 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0007210000185295939 MOLE,Solvents are Solvent:CC1=CC=CC=... | The condition of this chemical reaction is: The aim of the reaction is test/optimization: 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (100 mg, 0.36 mmol), 4-(4-bromo-3-fluorobenzyl)morpholine (109 mg, 0.40 mmol), Palladium, 10% On Charcoal (115 mg, 0.11 mmol), 2-Dicyclohexylpho... |
Here is a chemical reaction formula: Reactants are amine:C1OC2=C(O1)C(=C(C=C2)Cl)N, amount is: 0.005830000154674053 MOLE;aryl halide:CC(=O)NC1=NC=CC(=C1)Cl, amount is: 0.005830000154674053 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.011699999682605267 MOLE,Solvents are Solvent:CC(=O)N(C)C, amount i... | The condition of this chemical reaction is: Reaction carried out in two batches in 20 ml microwave tubes. 5-chlorobenzo[d][1,3]dioxol-4-amine (1 g, 5.83 mmol), N-(4-chloropyridin-2-yl)acetamide (0.994 g, 5.83 mmol), XANTPHOS (0.405 g, 0.70 mmol), PALLADIUM(II) ACETATE (0.065 g, 0.29 mmol) and CESIUM CARBONATE (3.80 g, ... |
Here is a chemical reaction formula: Reactants are amine:CN1CCC2=C(C1=O)C(=CC=C2)N, amount is: 0.018300000578165054 MOLE;aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.018300000578165054 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.027400000020861626 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: diacetoxypalladium (0.205 g, 0.91 mmol) was added to a stirred suspension of 2,5-dichloro-4-iodopyridine (5 g, 18.26 mmol), 8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (3.22 g, 18.26 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (1.056 g, 1.83 mmol) a... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.0021899999119341373 MOLE;amine:CN1CCC2=C(C1=O)C(=CC=C2)N, amount is: 0.0021899999119341373 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.003289999905973673 MOLE,Solvents are Solvent:C1COCCO1, amount is: ... | The condition of this chemical reaction is: diacetoxypalladium (24.59 mg, 0.11 mmol) was added to a stirred suspension of 2,5-dichloro-4-iodopyridine (600 mg, 2.19 mmol), 8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (386 mg, 2.19 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (127 mg, 0.22 mmol) ... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.01360000018030405 MOLE;amine:CN1CCC2=C(C1=O)C(=CC=C2)N, amount is: 0.01360000018030405 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0203000009059906 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,C... | The condition of this chemical reaction is: diacetoxypalladium (0.152 g, 0.68 mmol) was added to a stirred suspension of 2,5-dichloro-4-iodopyridine (3.71 g, 13.56 mmol), 8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (2.39 g, 13.56 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (0.785 g, 1.36 mmol... |
Here is a chemical reaction formula: Reactants are amine:CN1CCC2=C(C1=O)C(=CC=C2)N, amount is: 0.051100000739097595 MOLE;aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.051100000739097595 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.07660000026226044 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0... | The condition of this chemical reaction is: diacetoxypalladium (0.573 g, 2.55 mmol) was added to a stirred suspension of 2,5-dichloro-4-iodopyridine (13.99 g, 51.07 mmol), 8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (9 g, 51.07 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (2.96 g, 5.11 mmol) a... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.27399998903274536 MOLE;amine:CONC(=O)C1=CC=CC=C1N, amount is: 0.2879999876022339 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.32899999618530273 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Cataly... | The condition of this chemical reaction is: 2,5-dichloro-4-iodopyridine (75 g, 273.84 mmol), 2-amino-N-methoxybenzamide (47.8 g, 287.53 mmol), cesium carbonate (107 g, 328.60 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (11.88 g, 20.54 mmol) were suspended in 1,4-dioxane (913 ml). Nitrogen was bu... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.03799999877810478 MOLE;amine:CONC(=O)C1=CC=CC=C1N, amount is: 0.039900001138448715 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.04560000076889992 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Cata... | The condition of this chemical reaction is: 2,5-dichloro-4-iodopyridine (10.4 g, 37.97 mmol), 2-amino-N-methoxybenzamide (6.63 g, 39.87 mmol), cesium carbonate (14.85 g, 45.57 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (1.648 g, 2.85 mmol) were suspended in 1,4-dioxane (130 mL). Nitrogen was bu... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.0007300000288523734 MOLE;amine:CNC(=O)C1=CC=CC=C1N, amount is: 0.0007300000288523734 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0010999999940395355 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,... | The condition of this chemical reaction is: 2-amino-N-methylbenzamide (110 mg, 0.73 mmol), 2,5-dichloro-4-iodopyridine (200 mg, 0.73 mmol), diacetoxypalladium (8.20 mg, 0.04 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (42.3 mg, 0.07 mmol) and cesium carbonate (357 mg, 1.10 mmol) suspended in 1,4-di... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.010999999940395355 MOLE;amine:CNC(=O)C1=CC=CC=C1N, amount is: 0.010999999940395355 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.021900000050663948 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Cat... | The condition of this chemical reaction is: Palladium(II) acetate (0.098 g, 0.44 mmol) was added to 2,5-dichloro-4-iodopyridine (3 g, 10.95 mmol), 2-amino-N-methylbenzamide (1.645 g, 10.95 mmol), Cesium carbonate (7.14 g, 21.91 mmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (0.380 g, 0.66 mmol) in dioxane (... |
Here is a chemical reaction formula: Reactants are aryl halide:C1COCCN1CC2=CC(=C(C=C2)Cl)F, amount is: 0.0013899999903514981 MOLE;amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.0013899999903514981 MOLE,Reagents are Base:CC(C)(C)[O-].[K+], amount is: 0.0018100000452250242 MOLE,Solvents are Solvent:C1COCCO1, amo... | The condition of this chemical reaction is: To degassed 1,4-dioxane (13.900 ml) in a flame-dried and argonflushed 50 mL roundbottomed flask were added 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (386 mg, 1.39 mmol) and 4-(4-chloro-3-fluorobenzyl)morpholine (320 mg, 1.39 mmol) fo... |
Here is a chemical reaction formula: Reactants are aryl halide:C1COCCN1CC2=CC(=C(C=C2)Cl)F, amount is: 0.003920000046491623 MOLE;amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.0038799999747425318 MOLE,Reagents are Base:CC(C)(C)[O-].[K+], amount is: 0.005090000107884407 MOLE,Solvents are Solvent:C1COCCO1, amoun... | The condition of this chemical reaction is: To degassed 1,4-dioxane (39.2 ml) in a flame-dried and argonflushed 250 mL roundbottomed flask were added 5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine (1.076 g, 3.88 mmol) and 4-(4-chloro-3-fluorobenzyl)morpholine (0.9 g, 3.92 mmol) fol... |
Here is a chemical reaction formula: Reactants are aryl halide:C[C@@H](C1=NC=C(C=N1)F)NC2=NC(=NC(=N2)Cl)N3CCOCC3, amount is: 0.00029399999766610563 MOLE;amine:CC1=CN=C(S1)N, amount is: 0.00044100001105107367 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0007360000163316727 MOLE,Solvents are Solvent:C... | The condition of this chemical reaction is: (S)-4-chloro-N-(1-(5-fluoropyrimidin-2-yl)ethyl)-6-morpholino-1,3,5-triazin-2-amine (100 mg, 0.29 mmol), 5-methylthiazol-2-amine (50.4 mg, 0.44 mmol), BINAP (18.33 mg, 0.03 mmol), Pd2(dba)3 (13.48 mg, 0.01 mmol) and Cs2CO3 (240 mg, 0.74 mmol) were combined in a microwave reac... |
Here is a chemical reaction formula: Reactants are amine:CC1=NN(C=C1N)C, amount is: 0.00139999995008111 MOLE;aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C#N)Cl, amount is: 0.0006980000180192292 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 8.369999704882503e-05 MOLE,Solvents are Solvent:C1COCCO1, amount... | The condition of this chemical reaction is: 2-(2-chloro-5-cyanopyridin-4-ylamino)-N-methylbenzamide (200 mg, 0.70 mmol), Palladium(II) acetate (12.53 mg, 0.06 mmol), 1,3-dimethyl-1H-pyrazol-4-amine (155 mg, 1.40 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (48.4 mg, 0.08 mmol) and Cesium carbonate (273 mg, 0.... |
Here is a chemical reaction formula: Reactants are amine:CN1C(=CC(=N1)OC)N, amount is: 0.0006980000180192292 MOLE;aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C#N)Cl, amount is: 0.0003490000090096146 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 4.189999890513718e-05 MOLE,Solvents are Solvent:C1COCCO1, a... | The condition of this chemical reaction is: 2-(2-chloro-5-cyanopyridin-4-ylamino)-N-methylbenzamide (100 mg, 0.35 mmol), Palladium(II) acetate (6.26 mg, 0.03 mmol), [Reactants], 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (24.22 mg, 0.04 mmol) and Cesium carbonate (136 mg, 0.42 mmol) were suspended in dioxane (3 mL... |
Here is a chemical reaction formula: Reactants are amine:CC1=NN(C=C1N)C, amount is: 0.003800000064074993 MOLE;aryl halide:CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3C#N)Cl, amount is: 0.0019000000320374966 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0002280000044265762 MOLE,Solvents are Solvent:C1COCCO1,... | The condition of this chemical reaction is: 6-chloro-4-(2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-8-ylamino)nicotinonitrile (595 mg, 1.90 mmol), Palladium(II) acetate (34.2 mg, 0.15 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (132 mg, 0.23 mmol), 1,3-dimethyl-1H-pyrazol-4-amine (423 mg, 3.80 mmol) and Ces... |
Here is a chemical reaction formula: Reactants are aryl halide:CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3C#N)Cl, amount is: 0.00015999999595806003 MOLE;amine:CC1=NN(C=C1N)C, amount is: 0.00031999999191612005 MOLE,Reagents are Base:C1=CC=C(C=C1)[O-].[Na+], amount is: 0.00015999999595806003 MOLE,Solvents are Solvent:COCCOC, a... | The condition of this chemical reaction is: 1,3-dimethyl-1H-pyrazol-4-amine (35.5 mg, 0.32 mmol), 6-chloro-4-(2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-8-ylamino)nicotinonitrile (50 mg, 0.16 mmol)sodium phenolate (18.56 mg, 0.16 mmol),(R)-(-)-1-[(S)-2-(DICYCLOHEXYLPHOSPHINO)FERROCENYL]ETHYLDI-T- BUTYLPHOSPHINE (8.74... |
Here is a chemical reaction formula: Reactants are aryl halide:CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3C#N)Cl, amount is: 0.0015999999595806003 MOLE;amine:CC1=NN(C=C1N)C, amount is: 0.0031900000758469105 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0019199999514967203 MOLE,Solvents are Solvent:COCCOC, ... | The condition of this chemical reaction is: 1,3-dimethyl-1H-pyrazol-4-amine (355 mg, 3.19 mmol), 6-chloro-4-(2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-8-ylamino)nicotinonitrile (500 mg, 1.60 mmol), Cesium carbonate (625 mg, 1.92 mmol), Palladium(II) acetate (28.7 mg, 0.13 mmol)and (R)-(-)-1-[(S)-2-(DICYCLOHEXYLPHOSP... |
Here is a chemical reaction formula: Reactants are amine:CC1=NN(C=C1N)C, amount is: 0.0031999999191612005 MOLE;aryl halide:CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3C#N)Cl, amount is: 0.0015999999595806003 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0019199999514967203 MOLE,Solvents are Solvent:COCCOC, ... | The condition of this chemical reaction is: 6-chloro-4-(2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-8-ylamino)nicotinonitrile (500 mg, 1.60 mmol), 1,3-Dimethyl-1H-pyrazol-4-ylamine (355 mg, 3.20 mmol) and Cesium carbonate (625 mg, 1.92 mmol), Palladium(II) acetate (28.7 mg, 0.13 mmol) and (R)-(-)-1-[(S)-2-(Dicyclohexy... |
Here is a chemical reaction formula: Reactants are aryl halide:C1OC2=C(C(=CN=C2O1)Cl)N, amount is: 0.0006099999882280827 MOLE;amine:C1CC1C(=O)NC2=NC=CC(=C2)Cl, amount is: 0.0005089999758638442 MOLE,Reagents are Base:C1CCC2=NCCCN2CC1, amount is: 5.089999831398018e-05 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount is: 0.... | The condition of this chemical reaction is: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (0.190 mL, 1.27 mmol) was added to a mixture of N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (100 mg, 0.51 mmol), 6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-amine (105 mg, 0.61 mmol) and BIS(DIBENZYLIDENEACETONE)PALLADIUM(0) (26.... |
Here is a chemical reaction formula: Reactants are amine:C1CC1C(=O)NC2=NC=CC(=C2)Cl, amount is: 0.0203000009059906 MOLE;aryl halide:C1OC2=C(C(=CN=C2O1)Cl)N, amount is: 0.0203000009059906 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.040699999779462814 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (4 g, 20.34 mmol), 6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-amine (3.51 g, 20.34 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (1.412 g, 2.44 mmol), diacetoxypalladium (0.228 g, 1.02 mmol) and cesium carbonate (1... |
Here is a chemical reaction formula: Reactants are aryl halide:C1OC2=C(C(=CN=C2O1)Cl)N, amount is: 0.0040699997916817665 MOLE;amine:C1CC1C(=O)NC2=NC=CC(=C2)Cl, amount is: 0.0040699997916817665 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.008139999583363533 MOLE,Solvents are Solvent:C1COCCO1, amount ... | The condition of this chemical reaction is: N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (0.8 g, 4.07 mmol), 6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-amine (0.702 g, 4.07 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (0.282 g, 0.49 mmol), diacetoxypalladium (0.046 g, 0.20 mmol) and cesium carbonate (... |
Here is a chemical reaction formula: Reactants are amine:C1CC1C(=O)NC2=NC=CC(=C2)Cl, amount is: 0.005090000107884407 MOLE;aryl halide:C1OC2=C(C(=CN=C2O1)Cl)N, amount is: 0.005090000107884407 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01269999984651804 MOLE,Solvents are Solvent:C1COCCO1, amount is:... | The condition of this chemical reaction is: A mixture of N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (1 g, 5.09 mmol), 6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-amine (0.878 g, 5.09 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (0.324 g, 0.56 mmol), diacetoxypalladium (0.090 g, 0.40 mmol), cesium car... |
Here is a chemical reaction formula: Reactants are aryl halide:C1OC2=C(C(=CN=C2O1)Cl)N, amount is: 0.0040699997916817665 MOLE;amine:C1CC1C(=O)NC2=NC=CC(=C2)Cl, amount is: 0.0040699997916817665 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.008139999583363533 MOLE,Solvents are Solvent:C1COCCO1, amount ... | The condition of this chemical reaction is: N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (0.8 g, 4.07 mmol), 6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-amine (0.702 g, 4.07 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (0.282 g, 0.49 mmol), diacetoxypalladium (0.046 g, 0.20 mmol) and cesium carbonate (... |
Here is a chemical reaction formula: Reactants are amine:CCN1CCNCC1, amount is: 0.007420000154525042 MOLE;aryl halide:C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=C5C(=C(C=C4)I)C6=CC=CC=C6S5, amount is: 0.003710000077262521 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.007420000154525042 MOLE,Solvents are So... | The condition of this chemical reaction is: 8-(1-iododibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-one (2 g, 3.71 mmol), 2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL (0.462 g, 0.74 mmol), CESIUM CARBONATE (3.62 g, 11.12 mmol) and PALLADIUM (II) ACETATE (0.166 g, 0.74 mmol) were weighed out in a flask and inerted ... |
Here is a chemical reaction formula: Reactants are amine:CCN1CCNCC1, amount is: 7.419999747071415e-05 MOLE;aryl halide:C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=C5C(=C(C=C4)I)C6=CC=CC=C6S5, amount is: 3.7099998735357076e-05 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 5.560000136028975e-05 MOLE,Solvents ar... | The condition of this chemical reaction is: 8-(1-iododibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-one (20 mg, 0.04 mmol), 1-ethylpiperazine (9.42 µl, 0.07 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (2.145 mg, 3.71 µmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (0.849 mg, 0.93 µmol) and 2,3,4... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CCNCC1, amount is: 0.1289999932050705 MOLE;aryl halide:COC1=C(C=C(C=C1)Br)[N+](=O)[O-], amount is: 0.1289999932050705 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01549999974668026 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Ca... | The condition of this chemical reaction is: 4-bromo-1-methoxy-2-nitrobenzene (30 g, 129.29 mmol), 1-(piperazin-1-yl)ethanone (16.57 g, 129.29 mmol), cesium carbonate (84 g, 258.59 mmol),diacetoxypalladium (2.322 g, 10.34 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (8.98 g, 15.52 mmol) in dioxan... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CCNCC1, amount is: 0.07760000228881836 MOLE;aryl halide:COC1=C(C=C(C=C1)Br)[N+](=O)[O-], amount is: 0.07760000228881836 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.009309999644756317 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ... | The condition of this chemical reaction is: 1-(piperazin-1-yl)ethanone (9.94 g, 77.58 mmol), Cesium carbonate (50.6 g, 155.15 mmol), XANTPHOS (5.39 g, 9.31 mmol) and Pd(OAc)2 (1.393 g, 6.21 mmol) were added to a stirred solution of 4-bromo-1-methoxy-2-nitrobenzene (18 g, 77.58 mmol) dissolved in dioxane (120 ml). The r... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CCNCC1, amount is: 0.006459999829530716 MOLE;aryl halide:COC1=C(C=C(C=C1)Br)[N+](=O)[O-], amount is: 0.006459999829530716 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.000775999971665442 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: 4-bromo-1-methoxy-2-nitrobenzene (1.5 g, 6.46 mmol), 1-(piperazin-1-yl)ethanone (0.829 g, 6.46 mmol), CESIUM CARBONATE (4.21 g, 12.93 mmol), XANTPHOS (0.449 g, 0.78 mmol) and PdOAc2 (0.116 g, 0.52 mmol) were suspended in dioxane (20 ml) and sealed into a microwave tube. The r... |
Here is a chemical reaction formula: Reactants are aryl halide:COC1=C(C=C(C=C1)Br)[N+](=O)[O-], amount is: 0.006459999829530716 MOLE;amine:CC(=O)N1CCNCC1, amount is: 0.006459999829530716 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.000775999971665442 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: 4-bromo-1-methoxy-2-nitrobenzene (1.5 g, 6.46 mmol) was added in one portion to 1-(piperazin-1-yl)ethanone (0.829 g, 6.46 mmol), CESIUM CARBONATE (4.21 g, 12.93 mmol), XANTPHOS (0.449 g, 0.78 mmol) and PdOAc2 (0.116 g, 0.52 mmol) in dioxane (20 ml) under nitrogen. The resulti... |
Here is a chemical reaction formula: Reactants are aryl halide:CONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)Cl, amount is: 0.0008009999874047935 MOLE;amine:CC1=NN(C=C1N)C, amount is: 0.0012000000569969416 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 9.609999688109383e-05 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: 2-(2,5-dichloropyridin-4-ylamino)-N-methoxybenzamide (250 mg, 0.80 mmol), 1,3-dimethyl-1H-pyrazol-4-amine (134 mg, 1.20 mmol), Sodium tert-butoxide (115 mg, 1.20 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (55.6 mg, 0.10 mmol) and BIS(DIBENZYLIDENEACETONE)DIPALLADI... |
Here is a chemical reaction formula: Reactants are amine:CC1CNCC(N1)C, amount is: 0.0002479999966453761 MOLE;aryl halide:COC1=C(C=CC(=C1)Br)NC2=NC=C(C(=N2)C3=CN=C4N3C=CC=C4)Cl, amount is: 0.0002479999966453761 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0024800000246614218 MOLE,Solvents are Solvent... | The condition of this chemical reaction is: N-(4-bromo-2-methoxyphenyl)-5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (107 mg, 0.25 mmol), 2,6-dimethylpiperazine (28.4 mg, 0.25 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (5.75 mg, 9.94 µmol), diacetoxypalladium (1.116 mg, 4.97 µmol) and ... |
Here is a chemical reaction formula: Reactants are aryl halide:CC1=CN=C(N=C1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)Cl, amount is: 0.005210000090301037 MOLE;amine:CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC, amount is: 0.005210000090301037 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0005210000090301037 MOLE... | The condition of this chemical reaction is: Cesium carbonate (2.55 g, 7.82 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (0.301 g, 0.52 mmol) and diacetoxypalladium (0.058 g, 0.26 mmol) were added to a stirred suspension of 3-(2-chloro-5-methylpyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (2 g, 5.21 m... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00018400000408291817 MOLE;aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.0001990000018849969 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.00028899998869746923 MOLE,Solvents are Solvent:C1CO... | The condition of this chemical reaction is: The aim of the reaction is optimization. Tris(dibenzylideneacetone)dipalladium(0) (4.5 mg, 4.91 µmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (5.1 mg, 8.81 µmol) were dissolved in dioxane (1.8 mL) in a 10 mL Schlenk tube and activated at 100 °C for 6 min under ar... |
Here is a chemical reaction formula: Reactants are aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.03700000047683716 MOLE;amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.035999998450279236 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0575999990105629 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount... | The condition of this chemical reaction is: Tris(dibenzylideneacetone)dipalladium(0) (0.494 g, 0.54 mmol) and9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (0.375 g, 0.65 mmol) were dissolved in toluene (160 mL) in a 1 L reactor equipped with a condensor and activated at 100 °C for 6 min under argon. Then 5-fluoro-4-(... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.046300001442432404 MOLE;aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.053199999034404755 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.07410000264644623 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amou... | The condition of this chemical reaction is: Tris(dibenzylideneacetone)dipalladium(0) (1.703 g, 1.86 mmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (2.58 g, 4.46 mmol) were dissolved in toluene (50 ml) in a 500 mL two-necked round-bottomed flask equipped with a condensor and activated at 50 °C for 40 min unde... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.00018400000408291817 MOLE;aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.00019299999985378236 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.00029399999766610563 MOLE,Solvents are Solvent:CCCCOC(=O)C... | The condition of this chemical reaction is: Tris(dibenzylideneacetone)dipalladium(0) (4.5 mg, 4.91 µmol) and 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl (4.38 mg, 9.20 µmol) were dissolved in butyl acetate (1.8 mL) in a 10 mL Schlenk tube and activated at 100 °C for 6 min under argon. Then 5-fluoro-4-(2-methy... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.003599999938160181 MOLE;aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.0037799999117851257 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 6.479999865405262e-05 MOLE,Solvents are Solvent:CC1=CC=CC=C1, a... | The condition of this chemical reaction is: Tris(dibenzylideneacetone)dipalladium(0) (0.049 g, 54 µmol) and9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (0.037 g, 0.06 mmol) were dissolved in toluene (15 mL) in a 50 mL two-necked round-bottomed flask equipped with a condensor and activated at 100 °C for 6 min under a... |
Here is a chemical reaction formula: Reactants are amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.12999999523162842 MOLE;aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.13600000739097595 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.20800000429153442 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount... | The condition of this chemical reaction is: Tris(dibenzylideneacetone)dipalladium(0) (1.786 g, 1.95 mmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (1.354 g, 2.34 mmol) were dissolved in toluene (40 mL) in a 100 mL two-necked round-bottomed flask equipped with a condensor and activated at 50 °C for 30 min und... |
Here is a chemical reaction formula: Reactants are aryl halide:C1COCCN1CC2=CC=C(C=C2)Br, amount is: 0.0010999999940395355 MOLE;amine:CC1=NC=C(N1C2CCOCC2)C3=NC(=NC=C3F)N, amount is: 0.0010000000474974513 MOLE,Reagents are Base:CCC(C)(C)[O-].[Na+], amount is: 0.0014600000577047467 MOLE,Solvents are Solvent:COCCOC, amount... | The condition of this chemical reaction is: The aim of the reaction is only optimization and test. The reaction described below was carried out under argon atmosphere. Palladium(II) acetate (2.245 mg, 10.00 µmol) and (R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldi-t-butylphosphine (5.61 mg, 10.00 µmol) were... |
Here is a chemical reaction formula: Reactants are amine:CC1=C(C(=NN1C)C)N, amount is: 0.0006070000235922635 MOLE;aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)Cl, amount is: 0.00030300000798888505 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0003640000068116933 MOLE,Solvents are Solvent:C1COC... | The condition of this chemical reaction is: 2-(2-chloro-5-(trifluoromethyl)pyridin-4-ylamino)-N-methylbenzamide (100 mg, 0.30 mmol), 1,3,5-trimethyl-1H-pyrazol-4-amine (76 mg, 0.61 mmol), cesium carbonate (119 mg, 0.36 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (28.1 mg, 0.05 mmol) and diacetoxypa... |
Here is a chemical reaction formula: Reactants are aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)Cl, amount is: 0.0013500000350177288 MOLE;amine:CC1=NN(C=C1N)C, amount is: 0.0016199999954551458 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.0016199999954551458 MOLE,Solvents are Solvent:COCCOC, amount is: 0.0 ,... | The condition of this chemical reaction is: 1,3-dimethyl-1H-pyrazol-4-amine (180 mg, 1.62 mmol), 2-(2,5-dichloropyridin-4-ylamino)-N-methylbenzamide (400 mg, 1.35 mmol), Sodium t-Butoxide (156 mg, 1.62 mmol),(R)-(-)-1-[(S)-2-(DICYCLOHEXYLPHOSPHINO)FERROCENYL]ETHYLDI-T- BUTYLPHOSPHINE (73.8 mg, 0.14 mmol) and diacetoxyp... |
Here is a chemical reaction formula: Reactants are amine:COC1=C2C(=CC=C1)SC(=N2)N, amount is: 0.0012000000569969416 MOLE;aryl halide:C1=CC=C(C=C1)I, amount is: 0.0010000000474974513 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.0020000000949949026 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount is: 0.0 ,Cataly... | The condition of this chemical reaction is: 4-methoxybenzo[d]thiazol-2-amine (0.216 g, 1.20 mmol), iodobenzene (0.112 mL, 1.00 mmol), XANTPHOS (0.058 g, 0.10 mmol), Pd2(dba)3 (0.027 g, 0.03 mmol) and SODIUM TERT-BUTOXIDE (0.192 g, 2.00 mmol) placed in a sealed reaction via under an atmosphere of nitrogen and heated at ... |
Here is a chemical reaction formula: Reactants are amine:CC(C)(C)OC(=O)NC1CCNCC1, amount is: 0.0004990000161342323 MOLE;aryl halide:C1=CC2=NC=CC(=C2C=C1Cl)Cl, amount is: 0.0004490000137593597 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.001500000013038516 MOLE,Solvents are Solvent:CC(=O)N(C)C, amoun... | The condition of this chemical reaction is: diacetoxypalladium (5.60 mg, 0.02 mmol) was added in one portion to tert-butyl piperidin-4-ylcarbamate (100 mg, 0.50 mmol), 4,6-dichloroquinoline (89 mg, 0.45 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (28.9 mg, 0.05 mmol) and cesium carbonate (488 mg, 1... |
Here is a chemical reaction formula: Reactants are amine:CC(C)(C)OC(=O)N1CC(C1)OC2=CC(=C(C=C2)N)OC, amount is: 0.0003769999893847853 MOLE;aryl halide:C1=CC2=NC=C(N2C=C1)C3=NC(=NC=C3Cl)Cl, amount is: 0.0003769999893847853 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 3.020000076503493e-05 MOLE,Solvents ... | The condition of this chemical reaction is: 3-(2,5-dichloropyrimidin-4-yl)imidazo[1,2-a]pyridine (100 mg, 0.38 mmol) _,_ tert-butyl 3-(4-amino-3-methoxyphenoxy)azetidine-1-carboxylate (111 mg, 0.38 mmol) _,_ CESIUM CARBONATE (246 mg, 0.75 mmol) _,_ diacetoxypalladium (3.39 mg, 0.02 mmol) _and_ 9,9-DIMETHYL-4,5-BIS(DIPH... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=CN=C(C=C1Cl)Cl, amount is: 0.06759999692440033 MOLE;amine:C1=CC=C(C=C1)N, amount is: 0.06759999692440033 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.13500000536441803 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Catalysts are ... | The condition of this chemical reaction is: diacetoxypalladium (0.303 g, 1.35 mmol) was added in one portion to a degassed mixture of 2,4-dichloropyridine (10 g, 67.57 mmol), aniline (6.29 g, 67.57 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (1.173 g, 2.03 mmol) and cesium carbonate (44.0 g, 135.14... |
Here is a chemical reaction formula: Reactants are amine:CN1C(=CC=N1)N, amount is: 0.0006070000235922635 MOLE;aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)Cl, amount is: 0.00030300000798888505 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0003640000068116933 MOLE,Solvents are Solvent:C1COCCO1,... | The condition of this chemical reaction is: 2-(2-chloro-5-(trifluoromethyl)pyridin-4-ylamino)-N-methylbenzamide (100 mg, 0.30 mmol), 1-methyl-1H-pyrazol-5-amine (58.9 mg, 0.61 mmol), cesium carbonate (119 mg, 0.36 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (28.1 mg, 0.05 mmol) and diacetoxypalladi... |
Here is a chemical reaction formula: Reactants are amine:CNC(=O)C1=CC=CC=C1N, amount is: 0.014000000432133675 MOLE;aryl halide:C1=C(C(=CN=C1Cl)C(F)(F)F)I, amount is: 0.014000000432133675 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01679999940097332 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0... | The condition of this chemical reaction is: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine (4.305 g, 14.00 mmol), 2-amino-N- methylbenzamide (2.103 g, 14.00 mmol), diacetoxypalladium (0.251 g, 1.12 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (1.296 g, 2.24 mmol) and cesium carbonate (5.47 g, 16.80 mmo... |
Here is a chemical reaction formula: Reactants are amine:CNC(=O)C1=CC=CC=C1N, amount is: 0.02280000038444996 MOLE;aryl halide:C1=C(C(=CN=C1Cl)C(F)(F)F)I, amount is: 0.02280000038444996 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.027300000190734863 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ... | The condition of this chemical reaction is: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine (7 g, 22.77 mmol), 2-amino-N- methylbenzamide (3.42 g, 22.77 mmol), diacetoxypalladium (0.409 g, 1.82 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (2.108 g, 3.64 mmol) and cesium carbonate (8.90 g, 27.32 mmol) we... |
Here is a chemical reaction formula: Reactants are amine:CNC(=O)C1=CC=CC=C1N, amount is: 0.0016299999551847577 MOLE;aryl halide:C1=C(C(=CN=C1Cl)C(F)(F)F)I, amount is: 0.0016299999551847577 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0019499999471008778 MOLE,Solvents are Solvent:C1COCCO1, amount is:... | The condition of this chemical reaction is: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine (500 mg, 1.63 mmol), 2-amino-N- methylbenzamide (244 mg, 1.63 mmol), diacetoxypalladium (29.2 mg, 0.13 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (151 mg, 0.26 mmol) and cesium carbonate (636 mg, 1.95 mmol) wer... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=CN=C(C=C1C(F)(F)F)Br, amount is: 0.0011899999808520079 MOLE;amine:CC(C)(C)OC(=O)N1CCC(CC1)(CN=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N, amount is: 0.0011899999808520079 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0016599999507889152 MOLE,Sol... | The condition of this chemical reaction is: tert-butyl 4-carbamoyl-4-((diphenylmethyleneamino)methyl)piperidine-1-carboxylate (500 mg, 1.19 mmol), 2-bromo-4-(trifluoromethyl)pyridine (268 mg, 1.19 mmol), and cesium carbonate (541 mg, 1.66 mmol) were suspended in dioxane (2 mL) . The reaction was purged with nitrogen fo... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CCNCC1, amount is: 0.003010000102221966 MOLE;aryl halide:CC1=C(C=CC=C1Br)[N+](=O)[O-], amount is: 0.002309999894350767 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.003470000112429261 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount is: 0... | The condition of this chemical reaction is: 1-bromo-2-methyl-3-nitrobenzene (500 mg, 2.31 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (201 mg, 0.35 mmol) and cesium carbonate (1131 mg, 3.47 mmol) and diacetoxypalladium (52.0 mg, 0.23 mmol) were dissolved in toluene (10 mL) and sealed into a microwa... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.003650000086054206 MOLE;amine:CNC(=O)C1=C(C=CC(=C1)F)N, amount is: 0.0034799999557435513 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.006949999835342169 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: palladium acetate (31.2 mg, 0.14 mmol) was added to 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (121 mg, 0.21 mmol), Cesium carbonate (2266 mg, 6.95 mmol), 2-amino-5-fluoro-N-methylbenzamide (585 mg, 3.48 mmol) and 2,5-dichloro-4-iodopyridine (1000 mg, 3.65 mmol) in dioxa... |
Here is a chemical reaction formula: Reactants are aryl halide:C1CCC(CC1)NC(=O)C2=CN=C(C=C2)Cl, amount is: 0.0012600000482052565 MOLE;amine:C1=CC(=CC=C1C#N)N, amount is: 0.001509999972768128 MOLE,Reagents are Base:CC(C)(C)[O-].[K+], amount is: 0.0025100000202655792 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,Ca... | The condition of this chemical reaction is: In a 50 mL round-bottomed flask a TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (0.115 g, 0.13 mmol),POTASSIUM TERT-BUTOXIDE (0.282 g, 2.51 mmol)and BINAP (0.157 g, 0.25 mmol) in dry 1,4-dioxane (10 mL) was mixed under N2.Followed by 6-chloro-N-cyclohexylnicotinamide (.300 g, 1.26... |
Here is a chemical reaction formula: Reactants are aryl halide:CONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)Cl, amount is: 0.00028899998869746923 MOLE;amine:CC1=NN(C=C1N)C, amount is: 0.00034699999378062785 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.00040499999886378646 MOLE,Solvents are Solvent:COCCO... | The condition of this chemical reaction is: Palladium(II) acetate (7.79 mg, 0.03 mmol), (R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldi-t-butylphosphine (19.46 mg, 0.03 mmol), Cesium carbonate (0.032 mL, 0.40 mmol), 1,3-dimethyl-1H-pyrazol-4-amine (38.6 mg, 0.35 mmol) and 2-(2-chloro-5-(trifluoromethyl)pyrid... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=CN=C(N=C1Cl)Cl, amount is: 0.001339999958872795 MOLE;amine:C1CC2=CC=CC=C2NC1, amount is: 0.001339999958872795 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0020099999383091927 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount is: 0.0 ,Cat... | The condition of this chemical reaction is: 2,4-dichloropyrimidine (200 mg, 1.34 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (78 mg, 0.13 mmol), Tris(dibenzylideneacetone)dipalladium(0) (61.5 mg, 0.07 mmol) and Cesium carbonate (656 mg, 2.01 mmol) was added to a microwave vial. toluene (2 mL) was added. 1,2,... |
Here is a chemical reaction formula: Reactants are amine:CC1=NN(C=C1N)C, amount is: 0.0003640000068116933 MOLE;aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)Cl, amount is: 0.00030300000798888505 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.0004250000056345016 MOLE,Solvents are Solvent:COCCOC, amount is... | The condition of this chemical reaction is: Palladium(II) acetate (8.17 mg, 0.04 mmol), (R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldi-t-butylphosphine (20.40 mg, 0.04 mmol), Sodium tert-butoxide (0.052 mL, 0.42 mmol), 1,3-dimethyl-1H-pyrazol-4-amine (40.5 mg, 0.36 mmol) and 2-(2-chloro-5-(trifluoromethyl)p... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=CC(=CC=C1C#N)C2=CSC(=N2)Br, amount is: 0.0003769999893847853 MOLE;amine:C1COC(=O)N1, amount is: 0.0005660000024363399 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.001129999989643693 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.0 ,... | The condition of this chemical reaction is: 4-(2-bromothiazol-4-yl)benzonitrile (100 mg, 0.38 mmol), 2-Oxazolidinone (49.3 mg, 0.57 mmol), diacetoxypalladium (5.93 mg, 0.03 mmol), cesium carbonate (369 mg, 1.13 mmol), water (10 µl) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (21.82 mg, 0.04 mmol) were... |
Here is a chemical reaction formula: Reactants are amine:CNC(=O)C1=C(C=C(C=C1)F)NC2=CC(=NC=C2Cl)Cl, amount is: 0.0005249999812804163 MOLE;aryl halide:CC1=NN(C=C1N)C.Cl.Cl, amount is: 0.0010499999625608325 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0011599999852478504 MOLE,Solvents are Solvent:C1CO... | The condition of this chemical reaction is: 2-(2,5-dichloropyridin-4-ylamino)-4-fluoro-N-methylbenzamide (165 mg, 0.53 mmol), 1,3-dimethyl-1H-pyrazol-4-amine dihydrochloride (193 mg, 1.05 mmol), cesium carbonate (376 mg, 1.16 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (48.6 mg, 0.08 mmol) and diac... |
Here is a chemical reaction formula: Reactants are aryl halide:C1CC1C(=O)NC2=NC=CC(=C2)Cl, amount is: 0.00072900002123788 MOLE;amine:C1OC2=CC=CC(=C2O1)N, amount is: 0.00072900002123788 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0014600000577047467 MOLE,Solvents are Solvent:CC(=O)N(C)C, amount is: ... | The condition of this chemical reaction is: benzo[d][1,3]dioxol-4-amine (100 mg, 0.73 mmol), N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (143 mg, 0.73 mmol), XANTPHOS (50.6 mg, 0.09 mmol), PALLADIUM(II) ACETATE (8.19 mg, 0.04 mmol) and CESIUM CARBONATE (475 mg, 1.46 mmol) were suspended in DMA (3mL) and sealed into... |
Here is a chemical reaction formula: Reactants are aryl halide:COC(=O)C1=CC=C(C=C1)OCC2=C(C=CC=N2)Br, amount is: 0.001120000029914081 MOLE;amine:CN1CCNCC1, amount is: 0.0016799999866634607 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0022299999836832285 MOLE,Solvents are Solvent:CC(=O)N(C)C, amount ... | The condition of this chemical reaction is: A mixture of methyl 4-((3-bromopyridin-2-yl)methoxy)benzoate (360 mg, 1.12 mmol), Pd2dba3 (205 mg, 0.22 mmol), BINAP (278 mg, 0.45 mmol), cesium carbonate (728 mg, 2.23 mmol) and 1-methylpiperazine (168 mg, 1.68 mmol) in DMA (10 mL) was stirred at 100 °C for overnight. Sat. N... |
Here is a chemical reaction formula: Reactants are amine:CN(C)[C@H]1CCNC1, amount is: 0.0027699999045580626 MOLE;aryl halide:C1=CC(=C(C=C1Cl)Br)C#N, amount is: 0.002309999894350767 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.004619999788701534 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount is: 0.0 ... | The condition of this chemical reaction is: A mixture of 2-bromo-4-chlorobenzonitrile (500 mg, 2.31 mmol), (S)-N,N-dimethylpyrrolidin-3-amine (317 mg, 2.77 mmol), cesium carbonate (1505 mg, 4.62 mmol), tris(dibenzylideneacetone)dipalladium(0) (212 mg, 0.23 mmol) and BINAP (288 mg, 0.46 mmol) in toluene (15 mL) was stir... |
Here is a chemical reaction formula: Reactants are amine:CN1CCC2=C(C1=O)C(=CC=C2)N, amount is: 0.00020199999562464654 MOLE;aryl halide:CC1=NN(C=C1NC2=NC=C(C(=C2)Cl)C#N)C, amount is: 0.00010099999781232327 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 1.0099999599333387e-05 MOLE,Solvents are Solvent:C1C... | The condition of this chemical reaction is: 8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (35.6 mg, 0.20 mmol), 4-chloro-6-(1,3-dimethyl-1H-pyrazol-4-ylamino)nicotinonitrile (25 mg, 0.10 mmol), diacetoxypalladium (1.133 mg, 5.05 µmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (5.84 mg, 10.09 µmol) ... |
Here is a chemical reaction formula: Reactants are amine:COC1=C(C=CC(=C1)N2CCOCC2)N, amount is: 0.0007600000244565308 MOLE;aryl halide:CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)Cl, amount is: 0.000506000011228025 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0010100000072270632 MOLE,Solvents are Solvent:C1CO... | The condition of this chemical reaction is: 2-methoxy-4-morpholinoaniline (158 mg, 0.76 mmol), 2-(2,5-dichloropyridin-4-ylamino)-N-methylbenzamide (150 mg, 0.51 mmol),diacetoxypalladium (5.69 mg, 0.03 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (29.3 mg, 0.05 mmol) and cesium carbonate (330 mg, 1.0... |
Here is a chemical reaction formula: Reactants are aryl halide:CC1=C(C=CC(=C1)F)Br, amount is: 0.010599999688565731 MOLE;amine:CC(C)(C)OC(=O)N1CCNCC1, amount is: 0.01269999984651804 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.01590000092983246 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amount is: 0.0 ... | The condition of this chemical reaction is: In a 200ml flask was added 1-bromo-4-fluoro-2-methylbenzene (2 g, 10.58 mmol) and TERT-BUTYL 1-PIPERAZINECARBOXYLATE (2.365 g, 12.70 mmol), CESIUM CARBONATE (5.17 g, 15.87 mmol) , BINAP (0.791 g, 1.27 mmol) 18-CROWN-6 (0.336 g, 1.27 mmol), followed by toluene (25 ml). Degass ... |
Here is a chemical reaction formula: Reactants are amine:CC(C)(C)OC(=O)N1CCNCC1, amount is: 0.004360000137239695 MOLE;aryl halide:C1=CC(=C(C=C1F)C(F)(F)F)Br, amount is: 0.0036299999337643385 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.005450000055134296 MOLE,Solvents are Solvent:CC1=CC=CC=C1, amoun... | The condition of this chemical reaction is: In a 100ml sealtube was added 1-bromo-4-fluoro-2-(trifluoromethyl)benzene (0.91 g, 3.63 mmol), CESIUM CARBONATE (1.775 g, 5.45 mmol), CESIUM CARBONATE (1.775 g, 5.45 mmol), BINAP (0.271 g, 0.44 mmol), TERT-BUTYL 1-PIPERAZINECARBOXYLATE (0.812 g, 4.36 mmol), TRIS(DIBENZYLIDENE... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CC2CNCC(C1)O2, amount is: 0.00021300000662449747 MOLE;aryl halide:COC1=C(C=C(C=C1)Br)[N+](=O)[O-], amount is: 0.0001939999929163605 MOLE,Reagents are Base:[O-]P(=O)([O-])[O-].[K+].[K+].[K+], amount is: 0.000291000003926456 MOLE,Solvents are Solvent:COCCOC... | The condition of this chemical reaction is: 1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone (36.3 mg, 0.21 mmol), 4-bromo-1-methoxy-2-nitrobenzene (45 mg, 0.19 mmol), diacetoxypalladium (4.35 mg, 0.02 mmol), biphenyl-2-yldicyclohexylphosphine (10.88 mg, 0.03 mmol) and potassium phosphate (61.8 mg, 0.29 mmol) in DME... |
Here is a chemical reaction formula: Reactants are aryl halide:CC1=C(C(=NC(=N1)N)Cl)CC2=CC=C(C=C2)CC#N, amount is: 0.0007329999934881926 MOLE;amine:CCC[C@@H](CO)N, amount is: 0.0014700000174343586 MOLE,Reagents are Base:C(=O)([O-])[O-].[K+].[K+], amount is: 0.0014700000174343586 MOLE,Solvents are Solvent:C1COCCO1, amou... | The condition of this chemical reaction is: Palladium(II) acetate (8.23 mg, 0.04 mmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (42.4 mg, 0.07 mmol) were added to dioxane (3 mL) and the solution was stirred at room temperature for 10 minutes. 2-(4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)phenyl)aceto... |
Here is a chemical reaction formula: Reactants are aryl halide:CC1=C(C(=NC(=N1)/N=C/N(C)C)Cl)CC2=CC=C(C=C2)CC#N, amount is: 0.0007319999858736992 MOLE;amine:CC[C@H]1CNC(=O)O1, amount is: 0.0014600000577047467 MOLE,Reagents are Base:C(=O)([O-])[O-].[K+].[K+], amount is: 0.0014600000577047467 MOLE,Solvents are Solvent:C1... | The condition of this chemical reaction is: Palladium(II) acetate (8.22 mg, 0.04 mmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (42.4 mg, 0.07 mmol) were added to dioxane (3 mL) and the solution was stirred at room temperature for 10 minutes.(E)-N'-(4-chloro-5-(4-(cyanomethyl)benzyl)-6-methylpyrimidin-2-yl)-... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.000547999981790781 MOLE;amine:CNC(=O)C1=C(C=C(C=C1)F)N, amount is: 0.000547999981790781 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0008219999726861715 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: diacetoxypalladium (6.15 mg, 0.03 mmol) was added to a stirred suspension of 2,5-dichloro-4-iodopyridine (150 mg, 0.55 mmol), 2-amino-4-fluoro-N- methylbenzamide (92 mg, 0.55 mmol) (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (31.7 mg, 0.05 mmol) and cesium carbo... |
Here is a chemical reaction formula: Reactants are amine:CNC(=O)C1=C(C=C(C=C1)F)N, amount is: 0.0010000000474974513 MOLE;aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.0009130000253207982 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0013699999544769526 MOLE,Solvents are Solvent:C1COCCO1, amount is: ... | The condition of this chemical reaction is: 2,5-dichloro-4-iodopyridine (250 mg, 0.91 mmol), 2-amino-4-fluoro-N- methylbenzamide (169 mg, 1.00 mmol) diacetoxypalladium (10.25 mg, 0.05 mmol) (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (52.8 mg, 0.09 mmol) and cesium carbonate (446 mg, 1.37 mmol) were disso... |
Here is a chemical reaction formula: Reactants are aryl halide:C1=C(C(=CN=C1Cl)Cl)I, amount is: 0.003650000086054206 MOLE;amine:CNC(=O)C1=C(C=C(C=C1)F)N, amount is: 0.0034799999557435513 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.006949999835342169 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0.... | The condition of this chemical reaction is: palladium acetate (31.2 mg, 0.14 mmol) was added to 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (121 mg, 0.21 mmol), Cesium carbonate (2266 mg, 6.95 mmol), 2-amino-4-fluoro-N-methylbenzamide (585 mg, 3.48 mmol) and 2,5-dichloro-4-iodopyridine (1000 mg, 3.65 mmol) in dioxa... |
Here is a chemical reaction formula: Reactants are amine:CC(=O)N1CC2CNCC(C1)O2, amount is: 0.00021300000662449747 MOLE;aryl halide:COC1=C(C=C(C=C1)Br)[N+](=O)[O-], amount is: 0.0001939999929163605 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.000291000003926456 MOLE,Solvents are Solvent:C1COCCO1, amount is: 0... | The condition of this chemical reaction is: 1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone (36.3 mg, 0.21 mmol), 4-bromo-1-methoxy-2-nitrobenzene (45 mg, 0.19 mmol), diacetoxypalladium (3.48 mg, 0.02 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (8.98 mg, 0.02 mmol) and sodium 2-methylpropan-2-o... |
Here is a chemical reaction formula: Reactants are amine:CC(C)(C)OC(=O)N1CCNCC1, amount is: 0.0033499998971819878 MOLE;aryl halide:CS(=O)(=O)C1=CC=C(C=C1)COC2=NC=C(C=N2)Br, amount is: 0.003000000026077032 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.004730000160634518 MOLE,Solvents are Solvent:CC1=CC=CC=C1, ... | The condition of this chemical reaction is: 5-bromo-2-(4-(methylsulfonyl)benzyloxy)pyrimidine (1.03 g, 3.00 mmol), tert- butyl piperazine-1-carboxylate (624.6 mg, 3.35 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (154.3 mg, 0.17 mmol),2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (100.0 mg, 0.16 mmol) and sodium 2-met... |
Here is a chemical reaction formula: Reactants are aryl halide:CS(=O)(=O)C1=CC=C(C=C1)COC2=NC=C(C=N2)Br, amount is: 0.0021800000686198473 MOLE;amine:CC(C)(C)OC(=O)N1CCNCC1, amount is: 0.002400000113993883 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.003269999986514449 MOLE,Solvents are Solvent:CC1=CC=CC=C1, ... | The condition of this chemical reaction is: 5-bromo-2-(4-(methylsulfonyl)benzyloxy)pyrimidine (748.8 mg, 2.18 mmol), tert- butyl piperazine-1-carboxylate (447 mg, 2.40 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (100 mg, 0.11 mmol),2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (67.9 mg, 0.11 mmol) and sodium 2-methyl... |
Here is a chemical reaction formula: Reactants are aryl halide:CS(=O)(=O)C1=CC=C(C=C1)COC2=NC=C(C=C2)Br, amount is: 0.0007539999787695706 MOLE;amine:CC(C)(C)OC(=O)N1CCNCC1, amount is: 0.0008640000014565885 MOLE,Reagents are Base:CC(C)(C)[O-].[Na+], amount is: 0.0012499999720603228 MOLE,Solvents are Solvent:CC1=CC=CC=C1... | The condition of this chemical reaction is: 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (48.3 mg, 0.08 mmol) was added in one portion to 5-bromo-2-(4-(methylsulfonyl)benzyloxy)pyridine (257.9 mg, 0.75 mmol), tert-butyl piperazine-1-carboxylate (160.9 mg, 0.86 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (51.1 mg, 0.... |
Here is a chemical reaction formula: Reactants are aryl halide:CCOC(=O)C1=CC2=C(O1)C(=CC=C2)Br, amount is: 0.0017099999822676182 MOLE;amine:CC(=O)N1CCC2=C1C=CC(=C2)CCN3CCNCC3, amount is: 0.0017900000093504786 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.002219999907538295 MOLE,Solvents are Solvent:C... | The condition of this chemical reaction is: 06/05 2009 14:53:56 +0200 To ethyl 7-bromobenzofuran-2-carboxylate (0.460 g, 1.71 mmol) and 1-(5-(2-(piperazin-1-yl)ethyl)indolin-1-yl)ethanone (0.491 g, 1.79 mmol) (from EN02198-74) in dry degassed dioxane (8 mL) were added Cesium carbonate (0.724 g, 2.22 mmol), 2-Dicyclohe... |
Here is a chemical reaction formula: Reactants are aryl halide:CCOC(=O)C1=CC2=C(O1)C(=CC=C2)Br, amount is: 0.0003530000103637576 MOLE;amine:CC(=O)N1CCC2=C1C=CC(=C2)CCN3CCNCC3, amount is: 0.000371000001905486 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.00045900000259280205 MOLE,Solvents are Solvent:... | The condition of this chemical reaction is: 22/04 2009 09:43:42 +0200 To ethyl 7-bromobenzofuran-2-carboxylate (0.095 g, 0.35 mmol) and 1-(5-(2-(piperazin-1-yl)ethyl)indolin-1-yl)ethanone (0.101 g, 0.37 mmol) (from EN02198-74) in dry degassed dioxane (1.5 mL) were added Cesium carbonate (0.150 g, 0.46 mmol), 2-Dicyclo... |
Here is a chemical reaction formula: Reactants are aryl halide:CCOC(=O)C1=CC2=C(O1)C(=CC=C2)Br, amount is: 0.008550000376999378 MOLE;amine:C1CN(CCN1)CCC2=CC=CC=N2, amount is: 0.009399999864399433 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.011099999770522118 MOLE,Solvents are Solvent:C1COCCO1, amou... | The condition of this chemical reaction is: 27/05 2009 13:35:19 +0200 To dry degassed dioxane (30 mL) were added ethyl 7-bromobenzofuran-2-carboxylate (2.30 g, 8.55 mmol) and 1-(2-(pyridin-2-yl)ethyl)piperazine (1.798 g, 9.40 mmol), Cesium carbonate (3.62 g, 11.11 mmol), 2-Dicyclohexylphosphino-2',4',6'-triisopropylbi... |
Here is a chemical reaction formula: Reactants are aryl halide:CCOC(=O)C1=CC2=C(O1)C(=CC=C2)Br, amount is: 0.007430000230669975 MOLE;amine:C1CN(CCN1)CCC2=CC=CC=N2, amount is: 0.008179999887943268 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.011099999770522118 MOLE,Solvents are Solvent:C1COCCO1, amou... | The condition of this chemical reaction is: The reaction mixture of ethyl 7-bromobenzofuran-2-carboxylate (2.0 g, 7.43 mmol), 1-(2-(pyridin-2-yl)ethyl)piperazine (1.564 g, 8.18 mmol), Tris(dibenzylideneacetone)dipalladium(0) (0.476 g, 0.52 mmol), 2-Dicyclohexylphosphino-2',4',6'-tri-iso-propyl-1,1'-biphenyl (0.496 g, 1... |
Here is a chemical reaction formula: Reactants are amine:C1CN(CCN1)CCC2=CC=CC=N2, amount is: 0.00039000000106170774 MOLE;aryl halide:CCOC(=O)C1=CC2=C(O1)C(=CC=C2)Br, amount is: 0.00037200000951997936 MOLE,Reagents are Base:C(=O)([O-])[O-].[Cs+].[Cs+], amount is: 0.0004830000107176602 MOLE,Solvents are Solvent:C1COCCO1,... | The condition of this chemical reaction is: 07/01 2009 12:44:11 +0100 To ethyl 7-bromobenzofuran-2-carboxylate (0.100 g, 0.37 mmol) and 1-(2-(pyridin-2-yl)ethyl)piperazine (0.075 g, 0.39 mmol) in dry degassed dioxane (1.5 mL) were added Cesium carbonate (0.157 g, 0.48 mmol), 2-Dicyclohexylphosphino-2',4',6'-triisoprop... |
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This datastes is for llama-based chemistry condition generation model
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