Acetonitrile → N-(4,4-difluorocyclohexyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Reaction equation
[CH3:42][C:43]#[N:44].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[NH:10][CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7][cH:8]1)([F:19])[F:20].[F:21][C:22]1([F:41])[CH2:23][CH2:24][CH:25]([NH:28][C:29]([O:30][c:32]2[cH:33][cH:34][c:35]([N+:36]([O-:37])=[O:38])[cH:39][cH:40]2)=[O:31])[CH2:26][CH2:27]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]([C:29]([NH:28][CH:25]3[CH2:24][CH2:23][C:22]([F:21])([F:41])[CH2:27][CH2:26]3)=[O:30])[CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7][cH:8]1)([F:19])[F:20]Participants
4
Sources & evidence
- ORD record
- ord-1979b086d8eb42d3983cd815e8487c86
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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