Pyridine → 4-(3-Methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 16723-Methoxypropylamine

HCID 219343142-(2,2,2-trifluoroethyl)-4-chloro-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone

생성물 1

HCID 219340034-(3-Methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

출처 및 근거

ORD 기록: ord-147925c3fdf949e69ca6dd0a49755a33
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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