Acetate → 7-methylamino-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 192318Notes

Reaction equation

HRID 192318 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1.[C:23]([O-:24])(=[O:25])[CH3:26].[CH3:28][OH:29].[CH3:30][NH2:31].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cs+:27].[Cu:38]([I:39])[I:40].[OH2:32]>>[c:2]1([NH:31][CH3:30])[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1

Participants

9

Reactant 8

HCID 175AcetateHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6329MethylamineHCID 83717Copper iodideHCID 104967Cesium cationHCID 23156787HCID 23156787, compound

Product 1

HCID 231568547-methylamino-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-a1371ff4ed654a7ba8e0d7c5b028b54c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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