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

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 85032,2-Dimethoxyethylmethylamine

HCID 54393886Ethyl [4-(phenylmethyl)phenyl]carbamate

생성물 1

HCID 23451814N-[4-(phenylmethyl)phenyl]-N'-(2,2-dimethoxyethyl)-N'-methylurea

출처 및 근거

ORD 기록: ord-8a1ac00bedfd4bc981f7cf5567a565ed
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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