Acetate → Guaiacylacetone

HRID 1538812Notes

Reaction equation

HRID 1538812 reaction equation
[CH3:13][C:14](=[O:15])[O:16][C:17](=[O:18])[CH3:19].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[CH:7][CH3:8])[cH:9][cH:10][c:11]1[OH:12].[CH3:21][C:22](=[O:23])[O-:24].[CH3:30][C:31](=[O:32])[OH:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:20].[Na+:29].[S:25](=[O:26])([OH:27])[O-:28]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][C:7]([CH3:8])=[O:15])[cH:9][cH:10][c:11]1[OH:12]

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ion2×HCID 1140TolueneHCID 7338IsoeugenolHCID 7918Acetic AnhydrideHCID 104748Bisulfite

Product 1

HCID 17262Guaiacylacetone

Sources & evidence

ORD record
ord-30b36ade6b5c4fabb0722042d8232ab2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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