Phenylethanolamine → Methyl 2-[3-[4-bromo-2-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenoxy]phenyl]acetate

반응식

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

참가 물질

반응물 2

HCID 1000Phenylethanolamine

HCID 58237467[3-(4-Bromo-2-formyl-phenoxy)-phenyl]-acetic acid methyl ester

생성물 1

HCID 67105519Methyl 2-[3-[4-bromo-2-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenoxy]phenyl]acetate

출처 및 근거

ORD 기록: ord-48f600a940bf4006815fc3be149b1d7f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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