Ethanol → 3-{[(3-Fluorophenyl)amino]sulfonyl}benzoic acid

HRID 1116043

Reaction equation

HRID 1116043 reaction equation
[CH3:23][CH2:24][OH:25].[F:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21][cH:22]2)[cH:5][cH:6][cH:7]1.[Na+:27].[OH-:26].[OH2:28]>>[F:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:20][cH:21][cH:22]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 66676257Ethyl 3-{[(3-fluorophenyl)amino]sulfonyl}benzoate

Product 1

HCID 7665363-{[(3-Fluorophenyl)amino]sulfonyl}benzoic acid

Sources & evidence

ORD record
ord-6f7423c60bc34f3d8878dcde84583322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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