Nitric Acid → 4-chloro-3-(4-chloro-6-fluoro-3-methoxy-2-nitrophenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole

Reaction equation

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

Participants

Reactant 4

HCID 944Nitric Acid

HCID 962Water

HCID 1118Sulfuric Acid

HCID 186156481-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-4-chloro-5-trifluoromethyl-1H-pyrazole

Product 1

HCID 186156314-chloro-3-(4-chloro-6-fluoro-3-methoxy-2-nitrophenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole

Sources & evidence

ORD record: ord-ccf99143ea3f4bdebb58516461d0d992
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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