Benzene → Monoisouron

HRID 194132Notes

Reaction equation

HRID 194132 reaction equation
[CH3:11][N:12]=[C:13]=[O:14].[CH3:15][N:16]([CH3:17])[c:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1.[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:10])[n:8][o:9]1.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:13]([NH:12][CH3:11])=[O:14])[n:8][o:9]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 12228Methyl IsocyanateHCID 142844-(Dimethylamino)pyridineHCID 1714733-Isoxazolamine, 5-(1,1-dimethylethyl)-

Product 1

HCID 186687Monoisouron

Sources & evidence

ORD record
ord-35a9e468619d4ec6ad6aca915d178b64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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