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Reactivity Indices Profile: A Companion Tool of the Potential Energy Surface for the Analysis of Reaction Mechanisms. Nucleophilic Aromatic Substitution Reactions as Test Case
(American Chemical Society, 2013)
We herein report on the usefulness of the reactivity indices
profiles along a reaction coordinate. The model is tested to fully describe
the reaction mechanism of the title reactions. Group nucleophilicity and
electrophilicity ...
Reactivity indices profile: a companion tool of the potential energy surface for the analysis of reaction mechanisms. Nucleophilic aromatic substitution reactions as test case
(American Chemical Society, 2013)
We herein report on the usefulness of the reactivity indices
profiles along a reaction coordinate. The model is tested to fully describe
the reaction mechanism of the title reactions. Group nucleophilicity and
electrophilicity ...
Reactivity indices profile: a companion tool of the potential energy surface for the analysis of reaction mechanisms. Nucleophilic aromatic substitution reactions as test case
(American Chemical Society, 2013)
We herein report on the usefulness of the reactivity indices
profiles along a reaction coordinate. The model is tested to fully describe
the reaction mechanism of the title reactions. Group nucleophilicity and
electrophilicity ...
Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals
(Hindawi Limited, 2017)
© 2017 Maximiliano Martínez-Cifuentes et al. The mandatory presence of a chlorine atom on the aromatic ring of 6-hydroxy-3-formyl angular chromones, on the respiration inhibition of mammary carcinoma mouse, is explained ...
Kinetics and reaction mechanism of biothiols involved in SNAr reactions: an experimental study
(Frontiers Media, 2022)
Few kinetic parameters, or reaction rates, are known up to date in detail about 1-chloro and 1-fluoro-2,4-dinitrobenzene (ClDNB and FDNB, respectively) with a series of biothiols in aqueous media. These biological nucleophiles ...
Kinetics and Reaction Mechanism of Biothiols Involved in SNAr Reactions: An Experimental Study
(2022)
Few kinetic parameters, or reaction rates, are known up to date in detail about 1-chloro and 1-fluoro-2,4-dinitrobenzene (ClDNB and FDNB, respectively) with a series of biothiols in aqueous media. These biological nucleophiles ...
Recent advances in the synthesis of stannanes and the scope of theirposterior chemical transformations
(Elsevier Science Sa, 2014-01)
The SRN1 reactions of trimethylstannyl and triphenylstannyl anions, and other tin nucleophiles with haloarenes are quite versatile. Thus, the SRN1 mechanism can afford triorganylstannyl aromatic compounds which otherwise ...
Estudio teórico del efecto de los sustituyentes en la regioselectividad de una sustitución electrofílica aromática de segundo orden
(Grupo de Química-Física TeóricaMedellín, Colombia, 2021)
Un estudio téorico relativo a los resultados experimentales de reacciones de Diels-Alder polares
(2012-10-17)
La reacción de Diels-Alder como bloque constructor de anillos carbociclos y heterocíclicos, en una sola etapa, es una de las reacciones más utilizadas en los diagramas de síntesis. A su vez, el uso de compuestos aromáticos ...
Hydrogen bond contribution to preferential solvation in SNAr reactions
(ACS Publications, 2013)
Preferential solvation in aromatic nucleophilic
substitution reactions is discussed using a kinetic study
complemented with quantum chemical calculations. The
model system is the reaction of a series of secondary ...