Acetone → 3-(3,5-difluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
Reaction equation
[CH3:1][I:2].[CH3:20][C:21](=[O:22])[CH3:23].[F:3][c:4]1[cH:5][c:6](-[c:11]2[n:12]([CH3:17])[c:13](=[S:16])[nH:14][n:15]2)[cH:7][c:8]([F:10])[cH:9]1.[Na+:19].[OH-:18].[OH2:24]>>[CH3:1][S:16][c:13]1[n:12]([CH3:17])[c:11](-[c:6]2[cH:5][c:4]([F:3])[cH:9][c:8]([F:10])[cH:7]2)[n:15][n:14]1Participants
7
Sources & evidence
- ORD record
- ord-d4ca0e65d9c448aaaaf3e232df982032
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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