Bicarbonate Ion → 5,5-dimethyl-8-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine
Reaction equation
[CH3:6][C:7]1([CH3:18])[c:8]2[c:9]([cH:14][cH:15][cH:16][cH:17]2)[NH:10][CH2:11][CH2:12][CH2:13]1.[K+:5].[N+:1](=[O:2])([O-:3])[O-:4].[Na+:24].[O-:20][C:21]([OH:22])=[O:23].[OH2:19].[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[N+:1](=[O:2])([O-:4])[c:15]1[cH:14][c:9]2[c:8]([cH:17][cH:16]1)[C:7]([CH3:6])([CH3:18])[CH2:13][CH2:12][CH2:11][NH:10]2Participants
8
Sources & evidence
- ORD record
- ord-620646f70d374d57bb83a12d8b280421
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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