Dichloromethane → 3-[7-(3-Fluoro-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-benzonitrile
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:21][C:22]([CH2:23][C:24](=[O:5])[c:26]2[cH:27][c:28]([C:32]#[N:33])[cH:29][cH:30][cH:31]2)=[O:34])[cH:10][c:11](-[c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:25])[CH3:35].[Cl:43][CH2:44][Cl:45].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28]([C:32]#[N:33])[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:34])[NH:21][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]1)[cH:10]2Participants
4
Sources & evidence
- ORD record
- ord-5a5987e94e9544dcb5e070353758b5bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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