Sodium ion → 1-(2-Fluoro-4-hydroxyphenyl)-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one
Reaction equation
[Cu+2:39].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:4][cH:5][c:6]([NH2:8])[cH:7]1.[Fe+2:52].[N:19](=[O:20])[O-:21].[Na+:22].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27].[S:34]([O-:35])([O-:36])(=[O:37])=[O:38].[S:47]([O-:48])([O-:49])(=[O:50])=[O:51]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:4][cH:5][c:6]([OH:20])[cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-4ee364a0afa249549a531ca4004169a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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