Acetic Acid → HCID 53985317, compound

HRID 680253Notes

Reaction equation

HRID 680253 reaction equation
[C:15]([CH:16]=[O:17])(=[O:18])[OH:19].[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][C:11]([CH3:12])=[O:13])[cH:7][cH:8]1.[CH3:20][C:21](=[O:22])[OH:23].[OH2:14].[OH2:24]>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][C:11]([CH:12]=[CH:16][C:15](=[O:18])[OH:19])=[O:13])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 760Glyoxylic AcidHCID 962Water2×HCID 544426034-[4-(Methylsulfanyl)phenyl]but-3-en-2-one

Product 1

HCID 53985317HCID 53985317, compound

Sources & evidence

ORD record
ord-c49210052e474af497711b96d25e9d87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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