Ethyl formate → 2-(3-Methoxyphenyl)-2-(2-cyanoethyl)-6-formylcyclohexanone

HRID 1125784

반응식

HRID 1125784 반응식
[CH2:37]([O:38][CH:39]=[O:40])[CH3:41].[c:1]1([C:7]2([CH2:16][CH2:17][C:18]#[N:19])[C:8](=[O:15])[CH:9]([CH:13]=[O:14])[CH2:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:20]1([C:21]2([CH2:22][CH2:23][C:24]#[N:25])[CH2:26][CH2:28][CH2:29][CH2:30][C:27]2=[O:32])[cH:31][cH:33][cH:34][cH:35][cH:36]1>>[c:1]1([C:7]2([CH2:16][CH2:17][C:18]#[N:19])[C:8](=[O:15])[CH:9]([CH:13]=[O:14])[CH2:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][c:5]([O:32][CH3:27])[cH:6]1

참가 물질

4

반응물 3

HCID 8025Ethyl formateHCID 2633833-(2-Oxo-1-phenylcyclohexyl)propanenitrileHCID 213306102-Phenyl-2-(2-cyanoethyl)-6-formylcyclohexanone

생성물 1

HCID 213305512-(3-Methoxyphenyl)-2-(2-cyanoethyl)-6-formylcyclohexanone

출처 및 근거

ORD 기록
ord-e5c025790e594392a5f53bac67fe4e45
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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