6-(2,4-difluorophenyl)-2-isobutyl-4-methanesulfonyloxym ethyl-2H-pyridazin-3-one → 4-carboxy-2-(4-fluorobenzyl)-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
반응식
[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.[F:26][c:27]1[cH:28][cH:29][c:30]([CH2:31][n:32]2[n:33][c:34](-[c:43]3[cH:44][c:45]([F:51])[c:46]([O:49][CH3:50])[cH:47][cH:48]3)[cH:35][c:36]([C:39](=[O:40])[O:41][CH3:42])[c:37]2=[O:38])[cH:52][cH:53]1>>[F:26][c:27]1[cH:28][cH:29][c:30]([CH2:31][n:32]2[n:33][c:34](-[c:43]3[cH:44][c:45]([F:51])[c:46]([O:49][CH3:50])[cH:47][cH:48]3)[cH:35][c:36]([C:39](=[O:40])[OH:41])[c:37]2=[O:38])[cH:52][cH:53]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-dd81fcfb1a774585925158fcc0e168a9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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