Bicarbonate Ion → 2,4-Dimethoxy-5-methylsulfonylbenzoic acid

HRID 2145363Notes

Reaction equation

HRID 2145363 reaction equation
[Br:29][CH2:30][C:31]([OH:32])=[O:33].[C:7](=[O:8])([OH:9])[O-:10].[Cl:12][S:13](=[O:14])(=[O:15])[c:16]1[c:17]([O:27][CH3:28])[cH:18][c:19]([O:25][CH3:26])[c:20]([C:21](=[O:22])[OH:23])[cH:24]1.[Na+:11].[Na+:5].[Na+:6].[OH2:34].[S:1]([O-:2])([O-:3])=[O:4]>>[CH3:7][S:13](=[O:14])(=[O:15])[c:16]1[c:17]([O:27][CH3:28])[cH:18][c:19]([O:25][CH3:26])[c:20]([C:21](=[O:22])[OH:23])[cH:24]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 1099SulfiteHCID 6227Bromoacetic AcidHCID 167713625-Chlorosulfonyl-2,4-dimethoxybenzoic acid

Product 1

HCID 214770622,4-Dimethoxy-5-methylsulfonylbenzoic acid

Sources & evidence

ORD record
ord-3cea100b228f4a83a9724f850ce5e7bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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