Acetic Acid → Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-

HRID 136752Notes

Reaction equation

HRID 136752 reaction equation
[C:1](#[N:2])[C:3]1([c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[CH2:4][CH2:5][C:6](=[O:13])[CH:7]([C:9]([O:10][CH3:11])=[O:12])[CH2:8]1.[CH3:24][C:25](=[O:26])[OH:27].[OH2:33].[S:28](=[O:29])(=[O:30])([OH:31])[OH:32]>>[C:1](#[N:2])[C:3]1([c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[CH2:4][CH2:5][C:6](=[O:13])[CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 13345275Methyl 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxocyclohexanecarboxylate

Product 1

HCID 749913Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-

Sources & evidence

ORD record
ord-08d908781d14426fa01411037af89a95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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