Benzene → 3-[8-Methoxy-7-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-benzonitrile
Reaction equation
[BH:24]([OH:25])[OH:26].[BH:33]([OH:34])[OH:35].[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:20][c:21]1[O:22][CH3:23])[NH:6][C:7](=[O:19])[CH2:8][N:9]=[C:10]2[c:11]1[cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18]1.[CH3:36][O:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[cH:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:2]1(-[c:39]2[c:38]([O:37][CH3:36])[cH:43][cH:42][cH:41][cH:40]2)[cH:3][c:4]2[c:5]([cH:20][c:21]1[O:22][CH3:23])[NH:6][C:7](=[O:19])[CH2:8][N:9]=[C:10]2[c:11]1[cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18]1Participants
5
Sources & evidence
- ORD record
- ord-01655b571aad44ecaa2ab46bf7608889
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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