Acetic Acid → 8-chloro-4-(nitrosomethylamino)-1-phenyl-3H-1,5-benzodiazepin-2-one
Reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[Cl:5][c:6]1[cH:7][c:8]2[c:9]([cH:24][cH:25]1)[N:10]=[C:11]([NH:22][CH3:23])[CH2:12][C:13](=[O:21])[N:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[N:1](=[O:2])[O-:3].[Na+:4].[OH2:26]>>[N:1](=[O:3])[CH2:23][NH:22][C:11]1=[N:10][c:9]2[c:8]([cH:7][c:6]([Cl:5])[cH:25][cH:24]2)[N:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C:13](=[O:21])[CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-44e6659a72814e7c9ad8e7df1efa6bc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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