Trifluoroacetic acid → 4-(2-Methylpiperazin-1-yl)-2-trifluoromethylbenzonitrile

HRID 1115272Notes

Reaction equation

HRID 1115272 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([C:23]([F:24])([F:25])[F:26])[cH:5][c:6]([N:9]2[CH:10]([CH3:22])[CH2:11][N:12]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:13][CH2:14]2)[cH:7][cH:8]1.[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[C:1](#[N:2])[c:3]1[c:4]([C:23]([F:24])([F:25])[F:26])[cH:5][c:6]([N:9]2[CH:10]([CH3:22])[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:7][cH:8]1

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 18753316t-Butyl 4-(4-cyano-3-trifluoromethylphenyl)-3-methylpiperazine-1-carboxylate

Product 1

HCID 113231584-(2-Methylpiperazin-1-yl)-2-trifluoromethylbenzonitrile

Sources & evidence

ORD record
ord-069a1f997c364d50a9a33d81a14cfad6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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