Benzoic Acid → Benzoic acid, 3-(chlorosulfonyl)-

HRID 2326673Notes

Reaction equation

HRID 2326673 reaction equation
[Cl:10][S:11](=[O:12])(=[O:13])[OH:14].[NH2:20][S:21](=[O:22])(=[O:23])[OH:24].[OH2:29].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[S:15](=[O:16])(=[O:17])([OH:18])[OH:19].[S:25]([Cl:26])([Cl:27])=[O:28]>>[OH:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([S:11]([Cl:10])(=[O:12])=[O:13])[cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 243Benzoic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 5987Sulfamic AcidHCID 24386Thionyl ChlorideHCID 24638Chlorosulfonic acid

Product 1

HCID 77641Benzoic acid, 3-(chlorosulfonyl)-

Sources & evidence

ORD record
ord-2ac1327edf8d4020a1c0876ed4829c39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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