Acetone → 6-((4-Oxocyclohexyl)oxy)nicotinonitrile

HRID 2314790

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 184453076-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-nicotinonitrile

생성물 1

HCID 184453106-((4-Oxocyclohexyl)oxy)nicotinonitrile

출처 및 근거

ORD 기록: ord-94f6d38ffe3d45208a94587b737e538e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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