Water → 3-amino-5,5-dimethyl-8-nitro-3,4-dihydro-1H-1-benzazepin-2-one
Reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[N:1](=[N+:2]=[N-:3])[CH:4]1[C:5](=[O:20])[NH:6][c:7]2[c:8]([cH:13][cH:14][c:15]([N+:17](=[O:18])[O-:19])[cH:16]2)[C:9]([CH3:11])([CH3:12])[CH2:10]1.[OH2:45].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[NH2:1][CH:4]1[C:5](=[O:20])[NH:6][c:7]2[c:8]([cH:13][cH:14][c:15]([N+:17](=[O:18])[O-:19])[cH:16]2)[C:9]([CH3:11])([CH3:12])[CH2:10]1Participants
5
Sources & evidence
- ORD record
- ord-9041e4b5df834807bdcf8a368356edd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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