Phenylethanolamine → N-[2-(4-(3-Carbomethoxypropoxy)phenyl)-1-methylethyl]-2-hydroxy-2-phenylethanamine

반응식

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

참가 물질

반응물 3

HCID 1000Phenylethanolamine

HCID 8058Hexane

HCID 130796131-(4-[3-Carbomethoxypropoxy]phenyl)propan-2-one

생성물 1

HCID 20533267N-[2-(4-(3-Carbomethoxypropoxy)phenyl)-1-methylethyl]-2-hydroxy-2-phenylethanamine

출처 및 근거

ORD 기록: ord-c10694053c424c6686d1169488498261
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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