Acetic Acid → Ethyl 2-sulfo-1-cyclohexene-1-carboxylate

HRID 104854Notes

Reaction equation

HRID 104854 reaction equation
[B:5]([O:6][O-:7])([O-:8])[O-:9].[CH3:25][C:26](=[O:27])[OH:28].[Na+:10].[Na+:11].[Na+:12].[OH2:1].[OH2:2].[OH2:3].[OH2:4].[SH:13][C:14]1=[C:15]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:16][CH2:17][CH2:18][CH2:19]1>>[O:1]=[S:13](=[O:2])([OH:3])[C:14]1=[C:15]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:16][CH2:17][CH2:18][CH2:19]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962Water4×HCID 18380060Ethyl 2-sulfanylcyclohex-1-ene-1-carboxylateHCID 178526934HCID 178526934, compound

Product 1

HCID 6917303Ethyl 2-sulfo-1-cyclohexene-1-carboxylate

Sources & evidence

ORD record
ord-9896866eed9c4d669afbb60aa5cea32d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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