Chloride → 3-[2-butan-2-yloxy-6-(trifluoromethyl)pyridin-3-yl]-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
Reaction equation
[CH3:20][O:21][c:22]1[n:23][c:24]([O:25][CH3:26])[n:27][c:28]([N+:29]2([CH3:30])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[n:36]1.[CH:37]([CH3:38])([CH2:39][CH3:40])[O:41][c:42]1[n:43][c:44]([C:53]([F:54])([F:55])[F:56])[cH:45][cH:46][c:47]1[CH:48]=[CH:49][C:50](=[O:51])[OH:52].[Cl-:19].[ClH:17].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:16])[c:6]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[c:7]([C:9]#[N:10])[cH:8]1.[OH2:18]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:16])[c:6]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[c:7]([C:9]#[N:10])[cH:8]1)[C:50]([CH:49]=[CH:48][c:47]1[c:42]([O:41][CH:37]([CH3:38])[CH2:39][CH3:40])[n:43][c:44]([C:53]([F:54])([F:55])[F:56])[cH:45][cH:46]1)=[O:51]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-71e1bf258e6642e8b6347f6212b8499b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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