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

HRID 117282

Reaction equation

HRID 117282 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]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)([C:18]#[N:19])[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]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)([C:18]#[N:19])[CH2:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 1118Sulfuric AcidHCID 12230235Methyl 5-cyano-5-(4-fluorophenyl)-2-oxocyclohexanecarboxylate

Product 1

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

Sources & evidence

ORD record
ord-58880abf03a045249b2d3256ee31ffa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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