Bicarbonate Ion → 1-Chloro-4,5-difluoro-2-(methylsulfonyl)benzene

HRID 1147341

Reaction equation

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

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium ion3×

HCID 962Water

HCID 1099Sulfite

HCID 6227Bromoacetic Acid

HCID 27735232-Chloro-4,5-difluorobenzenesulfonyl chloride

Product 1

HCID 593468611-Chloro-4,5-difluoro-2-(methylsulfonyl)benzene

Sources & evidence

ORD record: ord-b1021499894d469097b05d3bc8fa757d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Linked notes

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