Acetic Acid → Ethyl 5-phenyl-2-sulfo-1-cyclohexene-1-carboxylate

HRID 1132938Notes

Reaction equation

HRID 1132938 reaction equation
[B:5]([O:6][O-:7])([O-:8])[O-:9].[CH3:31][C:32](=[O:33])[OH:34].[Na+:10].[Na+:11].[Na+:12].[OH2:1].[OH2:2].[OH2:3].[OH2:4].[SH:13][C:14]1=[C:15]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:16][CH:17]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:18][CH2:19]1>>[O:1]=[S:13](=[O:2])([OH:3])[C:14]1=[C:15]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:16][CH:17]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:18][CH2:19]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962Water4×HCID 21958083Ethyl 2-mercapto-5-phenyl-1-cyclohexene-1-carboxylateHCID 178526934HCID 178526934, compound

Product 1

HCID 18380061Ethyl 5-phenyl-2-sulfo-1-cyclohexene-1-carboxylate

Sources & evidence

ORD record
ord-b558fca3f26244de8f9cf5bf018e9100
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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