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Benzene → 2-{2-[4-(2-Methoxycarbonylethenyl)phenoxy]-1-methylethyl}amino-1-(3-chlorophenyl)ethanol

HRID 1559775
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HRID 1559775 반응식
[NH2:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:11])[cH:8][cH:9][cH:10]1.[O:12]=[C:13]([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:20]=[CH:21][C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1)[CH3:28].[OH2:29].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[NH:1]([CH2:2][CH:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:11])[cH:8][cH:9][cH:10]1)[CH:13]([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:20]=[CH:21][C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1)[CH3:28]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 241BenzeneHCID 962WaterHCID 37516012-Amino-1-(3-chlorophenyl)ethan-1-olHCID 53842536Methyl 4-(2-oxopropoxy)cinnamate

생성물 1

HCID 543845792-{2-[4-(2-Methoxycarbonylethenyl)phenoxy]-1-methylethyl}amino-1-(3-chlorophenyl)ethanol

출처 및 근거

ORD 기록
ord-f4d139dfdb634b00a36fad18b8d92ce2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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