Sodium ion → 2-hydroxy-5-sulfinobenzoic acid

HRID 2335576Notes

Reaction equation

HRID 2335576 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][cH:13][c:14]([OH:20])[c:15]([C:16](=[O:17])[OH:18])[cH:19]1.[Na+:22].[Na+:5].[Na+:6].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[OH-:21].[OH2:28].[S:1]([O-:2])([O-:3])=[O:4].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27]>>[S:8](=[O:9])([OH:10])[c:11]1[cH:12][cH:13][c:14]([OH:20])[c:15]([C:16](=[O:17])[OH:18])[cH:19]1

Participants

9

Reactant 8

HCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 1099SulfiteHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 27772405-(Chlorosulfonyl)-2-hydroxybenzoic acid

Product 1

HCID 2489022-hydroxy-5-sulfinobenzoic acid

Sources & evidence

ORD record
ord-813b8eb2add54d04bf99a4368e93ef67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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