Acetonitrile → N-{4-Chloro-3-[3-(trans-4-trifluoromethyl-cyclohexylcarbamoyl)-2-(2,2-difluoro-ethoxy)-6-methylamino-pyridin-5-ylthioureido]benzyl}-2,2-dimethyl-propionamide
Reaction equation
[CH3:46][C:47]#[N:48].[Cl:1][c:2]1[c:3]([N:16]=[C:17]=[S:18])[cH:4][c:5]([CH2:6][NH:7][C:8]([C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[cH:14][cH:15]1.[NH2:19][c:20]1[c:21]([NH:44][CH3:45])[n:22][c:23]([O:39][CH2:40][CH:41]([F:42])[F:43])[c:24]([C:25](=[O:26])[NH:27][CH:28]2[CH2:29][CH2:30][CH:31]([C:34]([F:35])([F:36])[F:37])[CH2:32][CH2:33]2)[cH:38]1>>[Cl:1][c:2]1[c:3]([NH:16][C:17](=[S:18])[NH:19][c:20]2[c:21]([NH:44][CH3:45])[n:22][c:23]([O:39][CH2:40][CH:41]([F:42])[F:43])[c:24]([C:25](=[O:26])[NH:27][CH:28]3[CH2:29][CH2:30][CH:31]([C:34]([F:35])([F:36])[F:37])[CH2:32][CH2:33]3)[cH:38]2)[cH:4][c:5]([CH2:6][NH:7][C:8]([C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[cH:14][cH:15]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-0a54787341e34647a4ae5e3983c0dec0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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