2-[(2-Chloro-5-methylphenoxy)methyl]oxirane → 6-[2-[2-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxypropylamino]ethyl]benzimidazol-5-yl]-4,5-dihydro-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][c:17]1[nH:18][c:19]2[c:20]([n:21]1)[cH:22][cH:23][c:24]([C:26]1=[N:31][NH:30][C:29](=[O:32])[CH2:28][CH2:27]1)[cH:25]2>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][CH:6]([CH2:7][NH:14][CH2:15][CH2:16][c:17]2[nH:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][c:24]([C:26]2=[N:31][NH:30][C:29](=[O:32])[CH2:28][CH2:27]2)[cH:25]3)[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 151078416-[2-(2-aminoethyl)benzimidazol-5-yl]-4,5-dihydro-3(2H)-pyridazinone

생성물 1

HCID 148844366-[2-[2-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxypropylamino]ethyl]benzimidazol-5-yl]-4,5-dihydro-3(2H)-pyridazinone

출처 및 근거

ORD 기록: ord-56e40f080b2d414795939138738e45f4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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