Ethanol → 7-Bromo-5-(pyridin-2-yl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1)=[N:8][CH2:9][C:10](=[O:12])[NH:11]2.[CH3:40][CH2:41][OH:42].[P:26]12(=[S:27])[S:28][P:29]3(=[S:39])[S:30][P:31](=[S:37])([S:32][P:33](=[S:36])([S:34]3)[S:35]1)[S:38]2.[cH:20]1[cH:21][cH:22][n:23][cH:24][cH:25]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1)=[N:8][CH2:9][C:10](=[S:27])[NH:11]2Participants
5
Sources & evidence
- ORD record
- ord-c4e883efca4c4d84970ccba002932880
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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