4-Chlorophenyl Isocyanate → 1H-Pyrazole-4-carboxylic acid, 3-(4-chlorophenyl)-1-(((4-chlorophenyl)amino)carbonyl)-4,5-dihydro-4-methyl-, methyl ester

HRID 285899Notes

Reaction equation

HRID 285899 reaction equation
[Cl:18][c:19]1[cH:20][cH:21][c:22]([N:25]=[C:26]=[O:27])[cH:23][cH:24]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][NH:10][CH2:11][C:12]2([CH3:13])[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:26]([NH:25][c:22]3[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]3)=[O:27])[CH2:11][C:12]2([CH3:13])[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 76934-Chlorophenyl IsocyanateHCID 198521233-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole

Product 1

HCID 1758551H-Pyrazole-4-carboxylic acid, 3-(4-chlorophenyl)-1-(((4-chlorophenyl)amino)carbonyl)-4,5-dihydro-4-methyl-, methyl ester

Sources & evidence

ORD record
ord-a02d40080ed44e26a3e4b15bfc58a5c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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