2-[(2-Chloro-5-methylphenoxy)methyl]oxirane → 6-[4-[2-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxypropylamino]ethoxy]phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone

반응식

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

참가 물질

반응물 2

HCID 130128362-[(2-Chloro-5-methylphenoxy)methyl]oxirane

HCID 151078236-[4-(2-aminoethoxy)phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone

생성물 1

HCID 151078256-[4-[2-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxypropylamino]ethoxy]phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone

출처 및 근거

ORD 기록: ord-6e56d9f1f6684fcb8ee5081440c92700
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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