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

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 922592,6-Diisopropylphenyl isocyanate

HCID 4192464Benzenemethanamine, 4-(dimethylamino)-N-(4-fluorophenyl)-

생성물 1

HCID 12972746N'-(2,6-diisopropylphenyl)-N-[(4-dimethylaminophenyl)methyl]-N-(4-fluorophenyl)urea

출처 및 근거

ORD 기록: ord-6ed7121480f84f9a81e88f66b8313704
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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