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

HRID 936170Notes

Reaction equation

HRID 936170 reaction equation
[C:1]([O:2][CH3:3])(=[O:4])[CH:5]1[C:6](=[O:23])[CH2:7][CH2:8][C:9]([C:11]#[N:12])([c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][cH:18]2)[CH2:10]1.[C:24]([CH:25]1[CH2:26][C:27]([c:28]2[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]2)([C:35]#[N:36])[CH2:37][CH2:38][C:39]1=[O:40])([O:41][CH3:42])=[O:43].[CH3:49][C:50](=[O:51])[OH:52].[S:44](=[O:45])(=[O:46])([OH:47])[OH:48]>>[CH2:5]1[C:6](=[O:23])[CH2:7][CH2:8][C:9]([C:11]#[N:12])([c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][cH:18]2)[CH2:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1118Sulfuric AcidHCID 122302342-Carbomethoxy-4-(p-chlorophenyl)-4-cyanocyclohexanoneHCID 13345275Methyl 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxocyclohexanecarboxylate

Product 1

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

Sources & evidence

ORD record
ord-2759b117c5794da5b5441e400040607c
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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