4-Hydroxy-2-Butanone → 2-(4-Fluorophenyl)-4-(3-oxo-1-butoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone

반응식

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

참가 물질

반응물 2

HCID 1115094-Hydroxy-2-Butanone

HCID 178504687HCID 178504687, 화합물

생성물 1

HCID 98673432-(4-Fluorophenyl)-4-(3-oxo-1-butoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone

출처 및 근거

ORD 기록: ord-71e505310c2d47bea94512f48d5f818a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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