Acetic Acid → 4-chloro-3-(2,5-difluoro-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

HRID 1135189Notes

Reaction equation

HRID 1135189 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH3:21])[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[cH:4][c:5]([F:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[OH2:31].[S:22]([Cl:23])(=[O:24])([Cl:25])=[O:26]>>[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH3:21])[c:15]([C:17]([F:18])([F:19])[F:20])[c:16]2[Cl:25])[cH:4][c:5]([F:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 24648Sulfuryl chlorideHCID 152785683-(2,5-difluoro-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

Product 1

HCID 152785694-chloro-3-(2,5-difluoro-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

Sources & evidence

ORD record
ord-66267daba0da493bad8a5eaa5bcb2171
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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