4-Bromo-3-(trifluoromethyl)aniline → Urea

HRID 1228719Notes

Reaction equation

HRID 1228719 reaction equation
[Br:13][c:14]1[cH:15][cH:16][c:17]([N:20]=[C:21]=[O:22])[cH:18][c:19]1[C:23]([F:24])([F:25])[F:26].[Br:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][c:8]1[C:9]([F:10])([F:11])[F:12].[O:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][NH:35][C:36](=[O:37])[C:38]2([O:44][c:45]3[cH:46][cH:47][c:48]([NH2:49])[cH:50][cH:51]3)[NH:39][CH:40]=[CH:41][CH:42]=[CH:43]2)[CH2:31][CH2:32]1>>[NH2:6][C:21]([NH2:20])=[O:22].[O:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][NH:35][C:36](=[O:37])[C:38]2([O:44][c:45]3[cH:46][cH:47][c:48]([NH2:49])[cH:50][cH:51]3)[NH:39][CH:40]=[CH:41][CH:42]=[CH:43]2)[CH2:31][CH2:32]1

Participants

5

Reactant 3

HCID 678524-Bromo-3-(trifluoromethyl)anilineHCID 231372171-Bromo-4-isocyanato-2-(trifluoromethyl)benzeneHCID 667465414-(2-(N-(2-morpholin-4-ylethyl)carbamoyl)pyridyloxy)aniline

Product 2

HCID 1176UreaHCID 667465414-(2-(N-(2-morpholin-4-ylethyl)carbamoyl)pyridyloxy)aniline

Sources & evidence

ORD record
ord-b029cd778283471ba53ac1703f70e753
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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