Water → 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxylic acid amide

Reaction equation

[NH2:1][c:2]1[c:3]([S:21](=[O:22])(=[O:23])[C:24]([F:25])([F:26])[F:27])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[OH2:33].[S:28]([OH:29])(=[O:30])(=[O:31])[OH:32]>>[NH2:1][c:2]1[c:3]([S:21](=[O:22])(=[O:23])[C:24]([F:25])([F:26])[F:27])[c:4]([C:19]([NH2:20])=[O:29])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]

Participants

Reactant 3

HCID 962Water

HCID 1118Sulfuric Acid

HCID 3078139Fipronil sulfone

Product 1

HCID 154569455-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxylic acid amide

Sources & evidence

ORD record: ord-ad76e77e607a49948b8421c4a10b47da
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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