4-(Piperazin-1-yl)furo[3,2-c]pyridine → (4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone

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.[o:32]1[cH:33][cH:34][c:35]2[c:36]([N:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[n:37][cH:38][cH:39][c:40]12>>[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:44]5[CH2:43][CH2:42][N:41]([c:36]6[c:35]7[cH:34][cH:33][o:32][c:40]7[cH:39][cH:38][n:37]6)[CH2:46][CH2:45]5)[cH:25][cH:26]4)[cH:17]3)[NH:11][CH2:12][CH2:13]2)[cH:27]1

참가 물질

반응물 2

HCID 27948084-(Piperazin-1-yl)furo[3,2-c]pyridine

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

생성물 1

HCID 58327808(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone

출처 및 근거

ORD 기록: ord-ebf6ec0e4d984a468cec855bb165f6d1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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