1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine → 3-cyclopentyl-N-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yl)-2-[6-oxo-4-(2-trifluoromethyl-phenoxy)-6H-pyridazin-1-yl]-propionamide

반응식

[CH3:29][n:30]1[n:31][c:32]([NH2:39])[cH:33][c:34]1[C:35]([F:36])([F:37])[F:38].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[n:11]2[n:12][cH:13][c:14]([O:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]3)[cH:15][c:16]2=[O:17])[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:39][c:32]2[n:31][n:30]([CH3:29])[c:34]([C:35]([F:36])([F:37])[F:38])[cH:33]2)[n:11]2[n:12][cH:13][c:14]([O:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]3)[cH:15][c:16]2=[O:17])[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

반응물 2

HCID 229127981-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

HCID 579191393-cyclopentyl-2-[6-oxo-4-(2-trifluoromethyl-phenoxy)-6H-pyridazin-1-yl]-propionic acid

생성물 1

HCID 579192953-cyclopentyl-N-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yl)-2-[6-oxo-4-(2-trifluoromethyl-phenoxy)-6H-pyridazin-1-yl]-propionamide

출처 및 근거

ORD 기록: ord-3f78afab590f46759bb7d720f436d0c3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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