Cargando…

Theoretical investigation of Banert cascade reaction

Computational inside of Banert cascade reaction for triazole formation is studied with B3LYP/6-31G(d,p) level of theory. The reaction proceeds mainly by SN2 initial chloride displacement rather than SN2′-type attack. Furthermore, according to the rate of reaction calculation, SN2 displacement is muc...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bhattacharyya, S., Hatua, K.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society Publishing 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5936888/ https://www.ncbi.nlm.nih.gov/pubmed/29765623 http://dx.doi.org/10.1098/rsos.171075

Ejemplares similares

An investigation of the allylation cascade reactions of substituted indigos
por: Perry, Matthew J., et al.
Publicado: (2023)

Synthesis, structures and reactions of acylsulfenyl iodides with theoretical investigations
por: Kato, Shinzi, et al.
Publicado: (2023)

Cascade polymerizations: recent developments in the formation of polymer repeat units by cascade reactions
por: Peterson, Gregory I., et al.
Publicado: (2020)

The mechanism of the triple aryne–tetrazine reaction cascade: theory and experiment
por: Suh, Sung-Eun, et al.
Publicado: (2018)

Applications and Perspectives of Cascade Reactions in Bacterial Infection Control
por: Li, Yuanfeng, et al.
Publicado: (2020)

A Five-Component Biginelli-Diels-Alder Cascade Reaction
por: Maskrey, Taber S., et al.
Publicado: (2018)

Theoretical investigation of the reaction mechanisms and kinetics of CFCl(2)CH(2)O(2) and ClO in the atmosphere
por: Zhang, Yunju, et al.
Publicado: (2020)

Clustering of catalytic nanocompartments for enhancing an extracellular non-native cascade reaction
por: Maffeis, Viviana, et al.
Publicado: (2021)

Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds
por: Bakthadoss, Manickam, et al.
Publicado: (2020)

The reaction of potassium xanthates with five-membered cyclic carbonates: selectivity of the underlying cascade reactions and mechanistic insights
por: Rumyantsev, Misha, et al.
Publicado: (2020)

A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism
por: Planas, Ferran, et al.
Publicado: (2018)

An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis
por: Rosi, Marzio, et al.
Publicado: (2019)

Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry
por: Vincent-Rocan, Jean-François, et al.
Publicado: (2016)

Theoretical analysis and evaluation of reaction routes by “three-parameter difference”
por: Song, Yu-Cong, et al.
Publicado: (2022)

Organic porous heterogeneous composite with antagonistic catalytic sites as a cascade catalyst for continuous flow reaction
por: Let, Sumanta, et al.
Publicado: (2023)

Theoretical investigations of thermoelectric phenomena in binary semiconducting skutterudites
por: Saeed, Muhammad, et al.
Publicado: (2019)

Infrared spectroscopic and theoretical investigations of novel iridium oxyfluorides
por: Lu, Yan, et al.
Publicado: (2023)

Recent advances in photoredox and nickel dual-catalyzed cascade reactions: pushing the boundaries of complexity
por: Zhu, Chen, et al.
Publicado: (2020)

Detection of tyrosine and monitoring tyrosinase activity using an enzyme cascade-triggered colorimetric reaction
por: Chen, Huei-Yu, et al.
Publicado: (2020)

The synthesis of quinolines via denitrogenative palladium-catalyzed cascade reaction of o-aminocinnamonitriles with arylhydrazines
por: Xie, Jing, et al.
Publicado: (2020)

Photocatalytic cascade reactions and dye degradation over CdS–metal–organic framework hybrids
por: Li, Shu-Rong, et al.
Publicado: (2021)

Post-synthetic benzylation of the mRNA 5′ cap via enzymatic cascade reactions
por: Cornelissen, N. V., et al.
Publicado: (2023)

Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction
por: Hao, Yu, et al.
Publicado: (2023)

Experimental and theoretical investigation of intramolecular cooperativity in cyclic benzene trimer motif
por: Kumar, Chakka Kiran, et al.
Publicado: (2019)

Novel base-initiated cascade reactions of hemiindigos to produce dipolar γ-carbolines and indole-fused pentacycles
por: Velezheva, V. S., et al.
Publicado: (2019)

Theoretical investigation of the structural and spectroscopic properties of expanded metalloporphyrin complexes
por: Jiang, Jie, et al.
Publicado: (2019)

Theoretical investigation of FAPbSnGeX(3) efficiency
por: Moatassim, H., et al.
Publicado: (2022)

The influence of dopants on aW-phase antimonene: theoretical investigations
por: Zhou, Qingxiao, et al.
Publicado: (2020)

Theoretical investigations on the superhydrophobicity of intrinsic hydrophilic surfaces with overhang microstructures
por: Xu, P., et al.
Publicado: (2022)

A cascade reaction-based switch-on fluorescent sensor for Ce(iv) ions in real samples
por: Lai, Xiaojing, et al.
Publicado: (2019)

Rhodium-catalyzed cascade reactions of triazoles with organoselenium compounds – a combined experimental and mechanistic study
por: Li, Fang, et al.
Publicado: (2021)

Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives
por: Liu, Chunyang, et al.
Publicado: (2022)

Biocatalytic cascades and intercommunicated biocatalytic cascades in microcapsule systems
por: Zhang, Pu, et al.
Publicado: (2022)

PPh(3)/NaI driven photocatalytic decarboxylative radical cascade alkylarylation reaction of 2-isocyanobiaryls
por: Wadekar, Ketan, et al.
Publicado: (2020)

Bimetallic docked covalent organic frameworks with high catalytic performance towards coupling/oxidation cascade reactions
por: Li, Yaling, et al.
Publicado: (2022)

Ruthenium-catalyzed cascade C–H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight
por: Song, Liangliang, et al.
Publicado: (2020)

Degradable Fe(3)O(4)-based nanocomposite for cascade reaction-enhanced anti-tumor therapy
por: Wang, Yang, et al.
Publicado: (2023)

Optimized inkjet-printed silver nanoparticle films: theoretical and experimental investigations
por: Mypati, Sreemannarayana, et al.
Publicado: (2018)

A synthetic, catalytic and theoretical investigation of an unsymmetrical SCN pincer palladacycle
por: Roffe, Gavin W., et al.
Publicado: (2016)

Theoretical investigation on the nature of 4-substituted Hantzsch esters as alkylation agents
por: Shen, Guang-Bin, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_40iqn5lrg00u7krhkskcqvfmg1