Acetic Acid → 3-(3-Amino-4-chlorophenyl)-1-methyl-4,5-di(trifluoromethyl)-1H-pyrazole
Reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][OH:37].[Cl:1][c:2]1[c:3]([N+:22]([O-:23])=[O:24])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH3:21])[c:11]([C:17]([F:18])([F:19])[F:20])[c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1.[Fe:38].[OH2:29]>>[Cl:1][c:2]1[c:3]([NH2:22])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH3:21])[c:11]([C:17]([F:18])([F:19])[F:20])[c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-451bcfae48b1438e8778924c2b234d85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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