Acetic Acid → Ethyl 5,5-dimethyl-2-sulfo-1-cyclohexene-1-carboxylate

HRID 2348304Notes

Reaction equation

HRID 2348304 reaction equation
[B:5]([O:6][O-:7])([O-:8])[O-:9].[CH3:13][C:14]1([CH3:26])[CH2:15][CH2:16][C:17]([SH:25])=[C:18]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:19]1.[CH3:27][C:28](=[O:29])[OH:30].[Na+:10].[Na+:11].[Na+:12].[OH2:1].[OH2:2].[OH2:3].[OH2:4]>>[O:1]=[S:25](=[O:2])([OH:3])[C:17]1=[C:18]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:19][C:14]([CH3:13])([CH3:26])[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962Water4×HCID 21958041Ethyl 5,5-dimethyl-2-mercapto-1-cyclohexene-1-carboxylateHCID 178526934HCID 178526934, compound

Product 1

HCID 18380064Ethyl 5,5-dimethyl-2-sulfo-1-cyclohexene-1-carboxylate

Sources & evidence

ORD record
ord-e6316c9703484dc9baf60238768a125e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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