Sodium ion → 2,2,2-Trichloroethyl 3-tert-butyl-1-P-tolyl-1H-pyrazol-5-ylcarbamate

HRID 2158403Notes

Reaction equation

HRID 2158403 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:17])[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[Cl:20][C:21]([CH2:22][O:23][C:24](=[O:25])[Cl:26])([Cl:27])[Cl:28].[Na+:19].[OH-:18].[OH2:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:24]([O:23][CH2:22][C:21]([Cl:20])([Cl:27])[Cl:28])=[O:25])[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 870632,2,2-Trichloroethyl chloroformateHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine

Product 1

HCID 99310942,2,2-Trichloroethyl 3-tert-butyl-1-P-tolyl-1H-pyrazol-5-ylcarbamate

Sources & evidence

ORD record
ord-b8df56f8500040ba80ab9836de936cba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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