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

반응식

[CH:32]1([CH2:38][N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]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][CH:32]6[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]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

반응물 2

HCID 27358851-(Cyclohexylmethyl)piperazine

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

생성물 1

HCID 58327942(3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone

출처 및 근거

ORD 기록: ord-303ad785173d4d958adcbc39dbe7b79e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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