Benzene → Monoisouron

HRID 671253Notes

Reaction equation

HRID 671253 reaction equation
[CH3:11][N:12]=[C:13]=[O:14].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[NH2:1][c:2]1[n:3][o:4][c:5]([C:7]([CH3:8])([CH3:9])[CH3:10])[cH:6]1.[cH:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[NH:1]([c:2]1[n:3][o:4][c:5]([C:7]([CH3:8])([CH3:9])[CH3:10])[cH:6]1)[C:13]([NH:12][CH3:11])=[O:14]

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 12228Methyl IsocyanateHCID 1714733-Isoxazolamine, 5-(1,1-dimethylethyl)-

Product 1

HCID 186687Monoisouron

Sources & evidence

ORD record
ord-77136f1635bc483a888187057fc7653b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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