Acetic Acid → Ethofumesate-2-keto

HRID 1140623Notes

Reaction equation

HRID 1140623 reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:17]1)[C:11]([CH3:15])([CH3:16])[CH:12]([OH:14])[O:13]2.[OH2:18]>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:17]1)[C:11]([CH3:15])([CH3:16])[C:12](=[O:14])[O:13]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 536079(2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

Product 1

HCID 590774Ethofumesate-2-keto

Sources & evidence

ORD record
ord-66c801baf58d4ad784625c3ff7075152
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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