Acetic Acid → 7-Fluoro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Reaction equation
[CH3:13][C:14](=[O:15])[OH:16].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:12]1)[C:7](=[O:11])[CH2:8][CH2:9][S:10]2.[N-:18]=[N+:19]=[N-:20].[Na+:17].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:12]1)[NH:18][C:7](=[O:11])[CH2:8][CH2:9][S:10]2Participants
6
Sources & evidence
- ORD record
- ord-df4ddb7768274193aa62890148bf6f19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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