Water → 3-(2,4-Difluorophenylthio)-4-nitrobenzoic acid

Reaction equation

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

Participants

Reactant 3

HCID 962Water

HCID 1118Sulfuric Acid

HCID 102663153-(2,4-Difluorophenylthio)-4-nitrobenzonitrile

Product 1

HCID 100867683-(2,4-Difluorophenylthio)-4-nitrobenzoic acid

Sources & evidence

ORD record: ord-6f2b581955f1435291953fa8dbec6a46
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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