Benzene → HCID 22101199, compound

HRID 2129879Notes

Reaction equation

HRID 2129879 reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[NH2:1][c:2]1[c:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[cH:4][n:5][n:6]1[CH3:7].[O:13]=[C:14]=[N:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[NH:1]([c:2]1[c:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[cH:4][n:5][n:6]1[CH3:7])[C:14](=[O:13])[NH:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 271299Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Product 1

HCID 22101199HCID 22101199, compound

Sources & evidence

ORD record
ord-68ed5539fec649b482274fc97202f80a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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