Nitric Acid → 1-(2-Fluoro-4-chloro-5-methylsulfonyloxyphenyl)-3,5-dimethyl-4-nitropyrazole

HRID 185603Notes

Reaction equation

HRID 185603 reaction equation
[F:1][c:2]1[c:3](-[n:14]2[n:15][c:16]([CH3:20])[cH:17][c:18]2[CH3:19])[cH:4][c:5]([O:9][S:10](=[O:11])(=[O:12])[CH3:13])[c:6]([Cl:8])[cH:7]1.[OH2:30].[OH:26][N+:27]([O-:28])=[O:29].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[F:1][c:2]1[c:3](-[n:14]2[n:15][c:16]([CH3:20])[c:17]([N+:27](=[O:26])[O-:28])[c:18]2[CH3:19])[cH:4][c:5]([O:9][S:10](=[O:11])(=[O:12])[CH3:13])[c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 137982511-(2-Fluoro-4-chloro-5-methylsulfonyloxyphenyl)-3,5-dimethylpyrazole

Product 1

HCID 142557491-(2-Fluoro-4-chloro-5-methylsulfonyloxyphenyl)-3,5-dimethyl-4-nitropyrazole

Sources & evidence

ORD record
ord-c534436cd53a41309ae8bcb1c437e509
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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