Trifluoroacetic acid → 5-[2-Bromo-4-(3-oxo-2,3-diphenyl-propyl)-phenyl]-1,1-dioxo-1,2-dihydro-1lambda6-isothiazol-3-one
Reaction equation
[Br:1][c:2]1[c:3]([C:24]2=[CH:25][C:26](=[O:35])[N:27]([C:31]([CH3:32])([CH3:33])[CH3:34])[S:28]2(=[O:29])=[O:30])[cH:4][cH:5][c:6]([CH2:8][CH:9]([C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:7]1.[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[Br:1][c:2]1[c:3]([C:24]2=[CH:25][C:26](=[O:35])[NH:27][S:28]2(=[O:29])=[O:30])[cH:4][cH:5][c:6]([CH2:8][CH:9]([C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-55cd7508241846eca8378136eb80f143
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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