Ethanol → (+/-)-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-3-(trifluoromethyl)piperazine
Reaction equation
[CH3:30][CH2:31][OH:32].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:11][c:12]1[c:13]([N+:18](=[O:19])[O-:20])[cH:14][n:15][n:16]1[CH3:17].[F:1][C:2]([CH:3]1[NH:4][CH2:5][CH2:6][NH:7][CH2:8]1)([F:9])[F:10]>>[F:1][C:2]([CH:3]1[NH:4][CH2:5][CH2:6][N:7]([c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][n:15][n:16]2[CH3:17])[CH2:8]1)([F:9])[F:10]Participants
5
Sources & evidence
- ORD record
- ord-ea3ffe416e2b4de6859cf57bc0d09852
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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