Benzene → N-(2-benzyloxy-5-ethoxy-3,4,6-trimethylbenzyl)-2-(2-isopropyl-5-methylphenoxy)ethylamine

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 4250702-(2-Isopropyl-5-methylphenoxy)ethanamine

HCID 199577072-Benzyloxy-5-ethoxy-3,4,6-trimethylbenzaldehyde

생성물 1

HCID 19957712N-(2-benzyloxy-5-ethoxy-3,4,6-trimethylbenzyl)-2-(2-isopropyl-5-methylphenoxy)ethylamine

출처 및 근거

ORD 기록: ord-21b9f1809fd7483499313fb45e392d37
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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