Water → 7-(3-methyl-2-oxotetrahydropyrimidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one
Reaction equation
[CH2:5]([Cl:6])[Cl:7].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:8][NH:9][CH2:10][CH2:11][CH2:12][NH:13][c:14]1[cH:15][cH:16][c:17]2[cH:18][c:19](-[c:25]3[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]3)[nH:20][c:21](=[O:24])[c:22]2[cH:23]1.[Cl:1][C:2]([Cl:3])=[O:4].[OH2:42]>>[C:2]1(=[O:4])[N:9]([CH3:8])[CH2:10][CH2:11][CH2:12][N:13]1[c:14]1[cH:15][cH:16][c:17]2[cH:18][c:19](-[c:25]3[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]3)[nH:20][c:21](=[O:24])[c:22]2[cH:23]1Participants
6
Sources & evidence
- ORD record
- ord-d69dce5c64b94a17ad546f784d9e9c9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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