Piperazine → 1-(4-Fluoro-benzyl)-6-methyl-2-oxo-4-(piperazin-1-yl)-1,2-dihydro-quinolin-3-carbonitrile

반응식

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

참가 물질

반응물 3

HCID 4837Piperazine

HCID 6344Dichloromethane

HCID 210819584-Chloro-1-(4-fluorobenzyl)-6-methyl-2-oxo-1,2-dihydro-quinoline-3-carbonitrile

생성물 1

HCID 210818991-(4-Fluoro-benzyl)-6-methyl-2-oxo-4-(piperazin-1-yl)-1,2-dihydro-quinolin-3-carbonitrile

출처 및 근거

ORD 기록: ord-cff98336be7746179481eb8ad4346531
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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