Acetone → N-(2,3-dihydro-2,2-dimethylbenzofuran-5-yl)sulfonyl-2-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]propionamide
Reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:26][C:27]1([CH3:45])[O:28][c:29]2[c:30]([cH:32][c:33]([S:36](=[O:37])(=[O:38])[NH:39][C:40]([CH:41]([CH3:42])[Br:43])=[O:44])[cH:34][cH:35]2)[CH2:31]1.[CH3:46][C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:6][c:7]1[OH:8].[K+:24].[K+:25]>>[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:6][c:7]1[O:8][CH:41]([C:40]([NH:39][S:36]([c:33]1[cH:32][c:30]2[c:29]([cH:35][cH:34]1)[O:28][C:27]([CH3:26])([CH3:45])[CH2:31]2)(=[O:37])=[O:38])=[O:44])[CH3:42]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3cd86a6e4f864e60978bedeb850b8c53
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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