Toluene → N-(3,4-dimethylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea

HRID 87262

Reaction equation

HRID 87262 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH2:5][NH2:6])[cH:7][cH:8][c:9]1[CH3:10].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:11][C:12]([Cl:13])=[O:14].[NH2:24][c:25]1[c:26]2[cH:27][c:28]([CH3:35])[n:29][cH:30][c:31]2[cH:32][cH:33][cH:34]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:12](=[O:14])[NH:24][c:25]2[c:26]3[cH:27][c:28]([CH3:35])[n:29][cH:30][c:31]3[cH:32][cH:33][cH:34]2)[cH:7][cH:8][c:9]1[CH3:10]

Participants

6

Reactant 5

HCID 1140TolueneHCID 6371PhosgeneHCID 66888Benzenemethanamine, 3,4-dimethyl-HCID 81531DiisopropylethylamineHCID 122120553-Methylisoquinolin-5-amine

Product 1

HCID 9996072N-(3,4-dimethylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea

Sources & evidence

ORD record
ord-0f52c3098fca4dfc80780d24008bc53b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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