Isopropanol → 1-[N-benzyl-2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-(4-biphenyloxy)-2-propanol

반응식

[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[NH:25][CH2:26][CH2:27][O:28][c:29]1[cH:30][cH:31][c:32]([OH:38])[c:33]([C:34](=[O:35])[NH2:36])[cH:37]1.[CH:39]([OH:40])([CH3:41])[CH3:42].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[cH:9][cH:10]2)[CH2:17]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1)[CH2:17][N:25]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:26][CH2:27][O:28][c:29]1[cH:30][cH:31][c:32]([OH:38])[c:33]([C:34](=[O:35])[NH2:36])[cH:37]1

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 1073251-(Biphenyl-4-yloxy)-2,3-epoxypropane

HCID 137544195-(2-(Benzylamino)ethoxy)-2-hydroxybenzamide

생성물 1

HCID 202551611-[N-benzyl-2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-(4-biphenyloxy)-2-propanol

출처 및 근거

ORD 기록: ord-65acb0fe052448b4a4d87f95c35a2eec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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