Acetic Acid → 4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[F:1][C:2]1([F:24])[CH2:3][CH2:4][N:5]([S:14]([c:15]2[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]2)(=[O:22])=[O:23])[c:6]2[c:7]([cH:10][cH:11][cH:12][cH:13]2)[C:8]1=[O:9].[K+:31].[OH-:30].[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[F:1][C:2]1([F:24])[CH2:3][CH2:4][NH:5][c:6]2[c:7]([cH:10][cH:11][cH:12][cH:13]2)[C:8]1=[O:9]Participants
6
Sources & evidence
- ORD record
- ord-9cae6334a5a3415f810e707325f07921
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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