6-(2,4-difluorophenyl)-2-isobutyl-4-methanesulfonyloxym ethyl-2H-pyridazin-3-one → 4-carboxy-2-(4-chlorocinnamyl)-6-(4-fluoro-3-methylphenyl)-2H-pyridazin-3-one

반응식

[Cl:26][c:27]1[cH:28][cH:29][c:30]([CH:31]=[CH:32][CH2:33][n:34]2[n:35][c:36](-[c:45]3[cH:46][c:47]([CH3:52])[c:48]([F:51])[cH:49][cH:50]3)[cH:37][c:38]([C:41](=[O:42])[O:43][CH3:44])[c:39]2=[O:40])[cH:53][cH:54]1.[F:1][c:2]1[cH:3][c:4]([F:5])[cH:6][cH:7][c:8]1-[c:9]1[cH:10][c:11]([CH2:12][O:13][S:14]([CH3:15])(=[O:16])=[O:17])[c:18](=[O:19])[n:20]([CH2:21][CH:22]([CH3:23])[CH3:24])[n:25]1>>[Cl:26][c:27]1[cH:28][cH:29][c:30]([CH:31]=[CH:32][CH2:33][n:34]2[n:35][c:36](-[c:45]3[cH:46][c:47]([CH3:52])[c:48]([F:51])[cH:49][cH:50]3)[cH:37][c:38]([C:41](=[O:42])[OH:43])[c:39]2=[O:40])[cH:53][cH:54]1

참가 물질

반응물 2

HCID 219914166-(2,4-difluorophenyl)-2-isobutyl-4-methanesulfonyloxym ethyl-2H-pyridazin-3-one

HCID 672135792-(4-chloro-cinnamyl)-6-(4-fluoro-3-methylphenyl)-4-methoxycarbonyl-2H-pyridazin-3-one

생성물 1

HCID 672131804-carboxy-2-(4-chlorocinnamyl)-6-(4-fluoro-3-methylphenyl)-2H-pyridazin-3-one

출처 및 근거

ORD 기록: ord-3fe6253b4ab04e30954f170aef4a48ce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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