Acetic Acid → Ethyl 5-t-butyl-2-sulfo-1-cyclohexene-1-carboxylate

HRID 1227015Notes

Reaction equation

HRID 1227015 reaction equation
[B:5]([O:6][O-:7])([O-:8])[O-:9].[C:13]([CH3:14])([CH3:15])([CH3:16])[CH:17]1[CH2:18][CH2:19][C:20]([SH:28])=[C:21]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:22]1.[CH3:29][C:30](=[O:31])[OH:32].[Na+:10].[Na+:11].[Na+:12].[OH2:1].[OH2:2].[OH2:3].[OH2:4]>>[O:1]=[S:28](=[O:2])([OH:3])[C:20]1=[C:21]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:22][CH:17]([C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:18][CH2:19]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962Water4×HCID 21958061Ethyl 5-t-butyl-2-mercapto-1-cyclohexene-1-carboxylateHCID 178526934HCID 178526934, compound

Product 1

HCID 18380053Ethyl 5-t-butyl-2-sulfo-1-cyclohexene-1-carboxylate

Sources & evidence

ORD record
ord-58af02d82f7a497884ed7a6cd1205f0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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