Acetic Acid → 4,4,6-Trimethyl-1,2,3,4-tetrahydronaphthalen-1-one

HRID 684779

Reaction equation

[CH3:18][C:19](=[O:20])[OH:21].[CH3:1][C:2]1([CH3:13])[CH2:3][CH2:4][CH2:5][c:6]2[cH:7][cH:8][c:9]([CH3:12])[cH:10][c:11]21.[CH:14]([CH3:15])([CH3:16])[OH:17].[OH2:22]>>[CH3:1][C:2]1([CH3:13])[CH2:3][CH2:4][C:5](=[O:17])[c:6]2[cH:7][cH:8][c:9]([CH3:12])[cH:10][c:11]21

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 3776Isopropanol

HCID 2263961,1,7-Trimethyl-1,2,3,4-tetrahydronaphthalene

Product 1

HCID 134632674,4,6-Trimethyl-1,2,3,4-tetrahydronaphthalen-1-one

Sources & evidence

ORD record: ord-a48172f8666c4e6aa76fbdf02431aed9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Linked notes

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