Acetic Acid → Styrenesulfonic acid

HRID 2140764Notes

Reaction equation

HRID 2140764 reaction equation
[CH3:12][C:13](=[O:14])[OH:15].[CH3:26][OH:27].[N:16]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:23].[NH2:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[OH:11])[cH:4][cH:5][cH:6][cH:7]1.[Na+:25].[OH-:24]>>[c:2]1([CH:13]=[CH2:12])[c:3]([S:8](=[O:9])(=[O:10])[OH:11])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 69262-Aminobenzenesulfonic acidHCID 10026Pentyl nitrite

Product 1

HCID 168625Styrenesulfonic acid

Sources & evidence

ORD record
ord-64ae712a8ec64aee8a437db7edf0b139
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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