Acetone → (E)-1-(5-Chloro-2-methyl-phenyl)-2-methyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-isothiourea
Reaction equation
[CH3:21][I:22].[CH3:23][C:24](=[O:25])[CH3:26].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH3:20])[c:6]([NH:8][C:9](=[S:10])[NH:11][c:12]2[c:13]([CH3:19])[n:14][n:15]([CH3:18])[c:16]2[CH3:17])[cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH3:20])[c:6]([NH:8][C:9]([S:10][CH3:21])=[N:11][c:12]2[c:13]([CH3:19])[n:14][n:15]([CH3:18])[c:16]2[CH3:17])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-a3b307119df54b71b6f2a78380ff2987
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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