Acetic Acid → 7-Fluoro-5-nitroso-2,3,4,5-tetrahydro-1,5-benzothiazepine
Reaction equation
[CH3:18][C:19](=[O:20])[OH:21].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:12]1)[NH:7][CH2:8][CH2:9][CH2:10][S:11]2.[N:13](=[O:14])[O-:15].[Na+:16].[OH2:17]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:12]1)[N:7]([N:13]=[O:14])[CH2:8][CH2:9][CH2:10][S:11]2Participants
6
Sources & evidence
- ORD record
- ord-fe5afb43cad743a78770151265cd392c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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