Benzene → N-(4-butylphenyl)-N'-(2,6-diisopropylphenyl)-N-[(4-dimethylaminophenyl)methyl]urea

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 922592,6-Diisopropylphenyl isocyanate

HCID 21957943(4-Butylphenyl)[(4-dimethylaminophenyl)methyl]amine

생성물 1

HCID 10227983N-(4-butylphenyl)-N'-(2,6-diisopropylphenyl)-N-[(4-dimethylaminophenyl)methyl]urea

출처 및 근거

ORD 기록: ord-893185c304e84ab78572a10732a07692
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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