Benzene → Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 14232N,O-Dimethylhydroxylamine

HCID 130176584-(4-Methylphenethyloxy)phenyl isocyanate

생성물 1

HCID 93385Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-

출처 및 근거

ORD 기록: ord-fbd3e31ae31e4d20a6259e5682433fb0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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