Computational Study on the Pd-Catalyzed Pathway for the Formation of (<i>R</i>)-Methyl-(2-Hydroxy-1-Phenylethyl)Carbamate

Computational Study on the Pd-Catalyzed Pathway for the Formation of (<i>R</i>)-Methyl-(2-Hydroxy-1-Phenylethyl)Carbamate

The formation of (<i>R</i>)-methyl-(2-hydroxy-1-phenylethyl)carbamate through Pd(PPh<sub>3</sub>)<sub>4</sub>-catalyzed synthesis was investigated using computational methods to elucidate the reaction pathway and energetic feasibility. Density functional theory (D...

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Bibliographic Details
Main Authors: Silvia González, Consuelo Mendoza Herrera, Lydia María Pérez Díaz, Laura Orea Flores, José Antonio Rivera Márquez, Ximena Jaramillo-Fierro
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Molecules
Subjects:
carbamate
palladium
catalysis
reaction pathway
DFT study
HPC
Online Access:https://www.mdpi.com/1420-3049/30/8/1781
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