Acetic Acid → 1-(4-Chlorophenyl)-4-oxocyclohexanecarbonitrile

HRID 155224Notes

Reaction equation

HRID 155224 reaction equation
[C:1]([O:2][CH3:3])(=[O:4])[CH:5]1[C:6](=[O:20])[CH2:7][CH2:8][C:9]([C:11]#[N:12])([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10]1.[CH3:26][C:27](=[O:28])[OH:29].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[CH2:5]1[C:6](=[O:20])[CH2:7][CH2:8][C:9]([C:11]#[N:12])([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 1118Sulfuric AcidHCID 122302342-Carbomethoxy-4-(p-chlorophenyl)-4-cyanocyclohexanone

Product 1

HCID 122302381-(4-Chlorophenyl)-4-oxocyclohexanecarbonitrile

Sources & evidence

ORD record
ord-e3fd6e1fcacf421d856498bd68d2ca0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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