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

HRID 315563

Reaction equation

HRID 315563 reaction equation
[C:1](#[N:2])[C:3]1([c:14]2[cH:15][cH:16][c:17]([F:20])[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.[CH3:21][C:22](=[O:23])[OH:24].[OH2:30].[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[C:1](#[N:2])[C:3]1([c:14]2[cH:15][cH:16][c:17]([F:20])[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 12230235Methyl 5-cyano-5-(4-fluorophenyl)-2-oxocyclohexanecarboxylate

Product 1

HCID 918051-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

Sources & evidence

ORD record
ord-cc1edae4b58f4b2091ab3c94fe35fd06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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