4-(Trifluoromethyl)phenyl isocyanate → Methyl 3-(4-chlorophenyl)-4-methyl-1-{[4-(trifluoromethyl)phenyl]carbamoyl}-4,5-dihydro-1H-pyrazole-4-carboxylate

HRID 2144186Notes

Reaction equation

HRID 2144186 reaction equation
[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.[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([N:26]=[C:27]=[O:28])[cH:24][cH:25]1)([F:29])[F:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:27]([NH:26][c:23]3[cH:22][cH:21][c:20]([C:19]([F:18])([F:29])[F:30])[cH:25][cH:24]3)=[O:28])[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 737684-(Trifluoromethyl)phenyl isocyanateHCID 198521233-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole

Product 1

HCID 108039Methyl 3-(4-chlorophenyl)-4-methyl-1-{[4-(trifluoromethyl)phenyl]carbamoyl}-4,5-dihydro-1H-pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-11ef7f07e36c4297bfc33928dd5a854b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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