Hydrochloric Acid → [4-(5-Methyl-3-trifluoromethyl-1H-pyrazol-4-yl)-phenyl]-acetonitrile

HRID 197603Notes

Reaction equation

HRID 197603 reaction equation
[CH3:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][C:24]#[N:25])[cH:21][cH:22]2)[c:4]([C:13]([F:14])([F:15])[F:16])[n:5][n:6]1[CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][O:12]1.[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[ClH:26]>>[CH3:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][C:24]#[N:25])[cH:21][cH:22]2)[c:4]([C:13]([F:14])([F:15])[F:16])[n:5][nH:6]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 59331959{4-[5-Methyl-1-(tetrahydro-pyran-2-yl)-3-trifluoromethyl-1H-pyrazol-4-yl]-phenyl}-acetonitrile

Product 1

HCID 59331945[4-(5-Methyl-3-trifluoromethyl-1H-pyrazol-4-yl)-phenyl]-acetonitrile

Sources & evidence

ORD record
ord-568007eafc4340ac8dd72a7ad6bb3ee4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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