Water → 1-[2-(3-Cyano-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-7-yl]-4-phenyl-1H-pyrrole-3-carbonitrile
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9]([CH2:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([N+:33]([O-:35])=[O:36])[cH:16][cH:17][c:18](-[n:20]3[cH:21][c:22]([C:31]#[N:32])[c:23](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:24]3)[cH:19]2)=[O:34])[cH:6][cH:7][cH:8]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[OH2:42]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9]2=[N:33][c:15]3[c:14]([cH:19][c:18](-[n:20]4[cH:21][c:22]([C:31]#[N:32])[c:23](-[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[cH:24]4)[cH:17][cH:16]3)[NH:13][C:11](=[O:12])[CH2:10]2)[cH:6][cH:7][cH:8]1Participants
4
Sources & evidence
- ORD record
- ord-9939a616a61744f3822d493ddba65a1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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