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Benzene → 6-[4-[2-[(3-chloro-beta-hydroxyphenethyl)amino]propyloxy]-phenyl]-4,5-dihydro-3(2H)-pyridazinone

HRID 147458
노트
인쇄 미리보기

반응식

HRID 147458 반응식
[C:19](=[O:20])([OH:21])[OH:22].[CH2:1]([C:2](=[O:3])[CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[N:17][NH:16][C:15](=[O:18])[CH2:14][CH2:13]2)[cH:10][cH:11]1.[OH2:34].[OH:23][CH:24]([CH2:25][NH2:26])[c:27]1[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH2:1]([CH:2]([CH3:4])[NH:26][CH2:25][CH:24]([OH:23])[c:27]1[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]1)[O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[N:17][NH:16][C:15](=[O:18])[CH2:14][CH2:13]2)[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 241BenzeneHCID 767Carbonic AcidHCID 962WaterHCID 37516012-Amino-1-(3-chlorophenyl)ethan-1-olHCID 144418546-[4-(2-Oxopropoxy)phenyl]-4,5-dihydropyridazin-3(2H)-one

생성물 1

HCID 198744866-[4-[2-[(3-chloro-beta-hydroxyphenethyl)amino]propyloxy]-phenyl]-4,5-dihydro-3(2H)-pyridazinone

출처 및 근거

ORD 기록
ord-6e2787d4eeb7477883849d6ca92b0305
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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