1-((4-Methoxyphenyl)methyl)piperazine → (3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-[4-(4-methoxybenzyl)piperazin-1-yl]methanone

HRID 312906

반응식

HRID 312906 반응식
[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([CH2:38][N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[cH:45][cH:46]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:28]([F:29])([F:30])[F:31])[c:6]([CH2:7][N:8]2[c:9]3[c:10]([n:14][cH:15][c:16](-[c:18]4[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26]4)[cH:17]3)[NH:11][CH2:12][CH2:13]2)[cH:27]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:28]([F:29])([F:30])[F:31])[c:6]([CH2:7][N:8]2[c:9]3[c:10]([n:14][cH:15][c:16](-[c:18]4[cH:19][c:20]([C:21](=[O:23])[N:42]5[CH2:41][CH2:40][N:39]([CH2:38][c:37]6[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:46][cH:45]6)[CH2:44][CH2:43]5)[cH:24][cH:25][cH:26]4)[cH:17]3)[NH:11][CH2:12][CH2:13]2)[cH:27]1

참가 물질

3

반응물 2

HCID 2319051-((4-Methoxyphenyl)methyl)piperazineHCID 583278073-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

생성물 1

HCID 67091858(3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-[4-(4-methoxybenzyl)piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-6d66dd63fb01455f92b6c2ad53e58768
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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