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

HRID 89975

반응식

HRID 89975 반응식
[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][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26]4)[cH:17]3)[NH:11][CH2:12][CH2:13]2)[cH:27]1.[F:32][C:33]([c:34]1[cH:35][c:36]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:37][cH:38][cH:39]1)([F:46])[F:47]>>[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][cH:20][c:21]([C:22](=[O:24])[N:43]5[CH2:42][CH2:41][N:40]([c:36]6[cH:35][c:34]([C:33]([F:32])([F:46])[F:47])[cH:39][cH:38][cH:37]6)[CH2:45][CH2:44]5)[cH:25][cH:26]4)[cH:17]3)[NH:11][CH2:12][CH2:13]2)[cH:27]1

참가 물질

3

반응물 2

HCID 42961-(3-(Trifluoromethyl)phenyl)piperazineHCID 469067184-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

생성물 1

HCID 58327800(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone

출처 및 근거

ORD 기록
ord-f2c549c7183b41d196cca65d1ca4fcc9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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