Acetic Acid → 2-(3'-Chlorophenyl)-5,5-dimethyl-1,3-cyclohexanedione

HRID 202392Notes

Reaction equation

HRID 202392 reaction equation
[CH3:23][C:24](=[O:25])[OH:26].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([C:9]([CH2:10][C:11]([CH2:12][C:13]([O:15][CH2:17][CH3:21])=[O:22])([CH3:18])[CH3:19])=[O:20])[C:14]#[N:16])[cH:5][cH:6][cH:7]1.[OH2:32].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[C:9](=[O:20])[CH2:10][C:11]([CH3:18])([CH3:19])[CH2:12][C:13]2=[O:15])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 20275820Ethyl 6-(3'chlorophenyl)-6-cyano-5-keto-3,3-dimethylhexanoate

Product 1

HCID 132597722-(3'-Chlorophenyl)-5,5-dimethyl-1,3-cyclohexanedione

Sources & evidence

ORD record
ord-408687803ddd482eb4512b63621064ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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