Pentane-1,2-diamine → (5-Fluoro-2-trifluoromethylphenyl)-{4-[5-(5-propyl-4,5-dihydro-1H-imidazol-2-YL)pyridin-2-YL]piperazin-1-YL}methanone

반응식

[F:1][c:2]1[cH:3][cH:4][c:5]([C:25]([F:26])([F:27])[F:28])[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[n:16][cH:17][c:18]([C:19]([OH:20])=[O:21])[cH:22][cH:23]3)[CH2:13][CH2:14]2)[cH:24]1.[NH2:29][CH2:30][CH:31]([CH2:32][CH2:33][CH3:34])[NH2:35]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:25]([F:26])([F:27])[F:28])[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[n:16][cH:17][c:18]([C:19]4=[N:29][CH2:30][CH:31]([CH2:32][CH2:33][CH3:34])[NH:35]4)[cH:22][cH:23]3)[CH2:13][CH2:14]2)[cH:24]1

참가 물질

반응물 2

HCID 14637946Pentane-1,2-diamine

HCID 675232816-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-yl]nicotinic acid

생성물 1

HCID 67523309(5-Fluoro-2-trifluoromethylphenyl)-{4-[5-(5-propyl-4,5-dihydro-1H-imidazol-2-YL)pyridin-2-YL]piperazin-1-YL}methanone

출처 및 근거

ORD 기록: ord-fb88dee1bd444c5d963dafdf608763fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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