Toluene → 1-(4-Fluoro-2-nitrophenyl)-3-heptylurea

HRID 168151

Reaction equation

HRID 168151 reaction equation
[CH2:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[N:19]=[C:20]=[O:21].[CH3:22][N:23]([CH3:24])[c:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[F:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:6])[cH:7][cH:8]1>>[F:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH:6][C:20]([NH:19][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])=[O:21])[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 677694-Fluoro-2-nitroanilineHCID 138341n-Heptyl isocyanate

Product 1

HCID 233700951-(4-Fluoro-2-nitrophenyl)-3-heptylurea

Sources & evidence

ORD record
ord-9c01fda1e1ac451dac589cfd2ab9e12e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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