Toluene → N-[4(4-methoxyphenoxy) phenyl]-N'-(2,2-dimethoxyethyl)-N'-methylurea

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 85032,2-Dimethoxyethylmethylamine

HCID 53699951Ethyl [4-(4-methoxyphenoxy)phenyl]carbamate

생성물 1

HCID 23451849N-[4(4-methoxyphenoxy) phenyl]-N'-(2,2-dimethoxyethyl)-N'-methylurea

출처 및 근거

ORD 기록: ord-6b20b7c606a84845b0b6cb510858c372
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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