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

HRID 101088

반응식

[CH3:1][O:2][C: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.[CH3:22][CH2:23][OH:24].[ClH:21]>>[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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 12230235Methyl 5-cyano-5-(4-fluorophenyl)-2-oxocyclohexanecarboxylate

생성물 1

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

출처 및 근거

ORD 기록: ord-f2f6202d181b427c9f67111d98eb878c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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