Bicarbonate Ion → 5,5-Dimethyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
Reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[CH3:1][C:2]1([CH3:14])[c:3]2[c:4]([cH:10][cH:11][cH:12][cH:13]2)[NH:5][C:6](=[O:9])[CH2:7][CH2:8]1.[Na+:25].[Na+:30].[OH-:24].[OH:15][N+:16]([O-:17])=[O:18].[S:19](=[O:20])(=[O:21])([OH:22])[OH:23]>>[CH3:1][C:2]1([CH3:14])[c:3]2[c:4]([cH:10][cH:11][c:12]([N+:16](=[O:15])[O-:17])[cH:13]2)[NH:5][C:6](=[O:9])[CH2:7][CH2:8]1Participants
7
Sources & evidence
- ORD record
- ord-76c9ea59caef447bb07cc4dbcc885684
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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