Dimethylformamide → 6-Nitro-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
Reaction equation
[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[c:10]([N+:14](=[O:15])[O-:16])[cH:11][cH:12][cH:13]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[NH:1]1[CH2:2][CH2:3][NH:4][c:5]2[c:6]([c:10]([N+:14](=[O:15])[O-:16])[cH:11][cH:12][cH:13]2)[C:7]1=[O:8]Participants
6
Sources & evidence
- ORD record
- ord-840f4aec28a54d83bd5f4ee4fe42f7dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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