Thioglycolic Acid → (5-oxo-1,3-oxathiolan-2-yl)methyl Butanoate

HRID 116071Notes

Reaction equation

HRID 116071 reaction equation
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[O:6][CH2:7][CH:8]=[O:9].[Cl:30][CH2:31][Cl:32].[O:10]=[S:11](=[O:12])([OH:13])[CH2:14][C:15]12[CH2:16][CH2:17][CH:18]([C:19]1([CH3:20])[CH3:21])[CH2:22][C:23]2=[O:24].[SH:25][CH2:26][C:27](=[O:28])[OH:29]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[O:6][CH2:7][CH:8]1[O:9][C:27](=[O:28])[CH2:26][S:25]1

Participants

5

Reactant 4

HCID 1133Thioglycolic AcidHCID 6344DichloromethaneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 98988312-Oxoethyl butyrate

Product 1

HCID 11206498(5-oxo-1,3-oxathiolan-2-yl)methyl Butanoate

Sources & evidence

ORD record
ord-6217282e6b104402a18fee5a95f38993
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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