Diethyl Ether → 4-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-ethylamino}-benzonitrile

반응식

[CH2:28]([O:29][CH2:30][CH3:31])[CH3:32].[Cl:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([CH2:20][c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[CH2:18][CH2:19]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([CH2:20][c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[CH2:18][CH2:19]1

참가 물질

반응물 3

HCID 3283Diethyl Ether

HCID 133964-Aminobenzonitrile

HCID 691000562-Chloro-1-[4-(4-fluoro-benzyl)-piperidin-1-yl]-ethanone

생성물 1

HCID 691009344-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-ethylamino}-benzonitrile

출처 및 근거

ORD 기록: ord-b74054303ef94a1db82bbdf02454529c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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