Acetic Acid → 9-Methyl-5-nitroso-2,3,4,5-tetrahydro-1,5-benzothiazepine
Reaction equation
[C:13]([OH:14])(=[O:15])[CH3:16].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[S:11][CH2:10][CH2:9][CH2:8][NH:7]2.[N:17](=[O:18])[O-:19].[Na+:20].[OH2:21]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[S:11][CH2:10][CH2:9][CH2:8][N:7]2[N:17]=[O:18]Participants
6
Sources & evidence
- ORD record
- ord-8b73b4dae001458e858409bb423f0d9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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