Ethanol → 2-[(4-Chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanedioic acid

HRID 157093Notes

Reaction equation

HRID 157093 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]([CH2:7][C:8](=[O:9])[OH:10])=[C:11]([c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]1)[c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1.[CH3:31][CH2:32][OH:33].[Na+:30].[OH-:29].[OH2:34]>>[O:3]=[C:4]([OH:5])[C:6]([CH2:7][C:8](=[O:9])[OH:10])=[C:11]([c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]1)[c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 54251909HCID 54251909, compound

Product 1

HCID 542921912-[(4-Chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanedioic acid

Sources & evidence

ORD record
ord-1505c739643f413ca65e5bbc8036268e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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