Ethanol → 1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH:25]([F:26])[F:27])[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:49][CH2:50][OH:51].[Cs+:41].[Cs+:42].[OH2:52].[n:28]1[cH:29][n:30][cH:31][c:32]([B:34]([OH:35])[OH:36])[cH:33]1>>[c:2]1(-[c:32]2[cH:31][n:30][cH:29][n:28][cH:33]2)[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH:25]([F:26])[F:27])[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-b21fd3f0ad5e430db583d7a808b3749e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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