Chloride → 3-[2-butoxy-4-(trifluoromethyl)phenyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
Reaction equation
[CH2:17]([CH2:18][CH2:19][CH3:20])[O:21][c:22]1[c:23]([CH:32]=[CH:33][C:34](=[O:35])[OH:36])[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1.[CH3:39][O:40][c:41]1[n:42][c:43]([O:44][CH3:45])[n:46][c:47]([N+:48]2([CH3:49])[CH2:50][CH2:51][O:52][CH2:53][CH2:54]2)[n:55]1.[Cl-:38].[ClH:16].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:15])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1.[OH2:37]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:15])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1)[C:34]([CH:33]=[CH:32][c:23]1[c:22]([O:21][CH2:17][CH2:18][CH2:19][CH3:20])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:24]1)=[O:35]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-621b1269c3d24617a3be94223f20f13f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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