Acetonitrile → N-(3-Isothiocyanato-4-trifluoromethoxy-benzyl)-2,2-dimethyl-propionamide
Reaction equation
[C:21](=[S:22])([n:23]1[cH:24][cH:25][n:26][cH:27]1)[n:28]1[cH:29][cH:30][n:31][cH:32]1.[CH3:33][C:34]#[N:35].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[cH:13][cH:14][c:15]1[O:16][C:17]([F:18])([F:19])[F:20]>>[N:1]([c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[cH:13][cH:14][c:15]1[O:16][C:17]([F:18])([F:19])[F:20])=[C:21]=[S:22]Participants
4
Sources & evidence
- ORD record
- ord-1fee29db7b874cb49681fd9d3cb7f92c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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