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

反応式

[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]

参加物

反応物 3

HCID 241Benzene

HCID 922592,6-Diisopropylphenyl isocyanate

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

生成物 1

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

出典と根拠

ORDレコード: ord-6ed7121480f84f9a81e88f66b8313704
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…