Results 161 to 170 of about 1,166 (192)
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ChemistrySelect, 2017
Abstract The intramolecular Diels‐Alder (IMDA) reactions of N ‐allyl‐furfurylamine ( 1a ) and N ‐trityl‐allyl‐furfurylamine ( 1b), were studied within the ...
Mar Ríos-Gutiérrez +2 more
exaly +2 more sources
Abstract The intramolecular Diels‐Alder (IMDA) reactions of N ‐allyl‐furfurylamine ( 1a ) and N ‐trityl‐allyl‐furfurylamine ( 1b), were studied within the ...
Mar Ríos-Gutiérrez +2 more
exaly +2 more sources
Computational and Theoretical Chemistry, 2019
Abstract A theoretical investigation study by the molecular electron density theory (MEDT) of the role of solvent toluene in the Hetero-Diels-Alder (HDA) reaction of isoselenazole with symmetrical acetylenic dienophiles is carried out, and also a comparative study was performed.
Abdelilah Benallou
exaly +2 more sources
Abstract A theoretical investigation study by the molecular electron density theory (MEDT) of the role of solvent toluene in the Hetero-Diels-Alder (HDA) reaction of isoselenazole with symmetrical acetylenic dienophiles is carried out, and also a comparative study was performed.
Abdelilah Benallou
exaly +2 more sources
ChemistrySelect, 2021
Abstract The [3+2] cycloaddition (32CA) reactions of norbornadiene with aryl and alkyl substituted diazomethylphosphonates (SDAPs) have been studied within the molecular electron density theory (MEDT). Electron localization function (ELF) shows the presence of a pseudoradical
Luis R Domingo, Nivedita Acharjee
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Abstract The [3+2] cycloaddition (32CA) reactions of norbornadiene with aryl and alkyl substituted diazomethylphosphonates (SDAPs) have been studied within the molecular electron density theory (MEDT). Electron localization function (ELF) shows the presence of a pseudoradical
Luis R Domingo, Nivedita Acharjee
openaire +1 more source
International Journal of Quantum Chemistry, 2019
AbstractThe [3+2] cycloaddition (32CA) reaction of tomentosin with benzonitrile oxide yielding a spiro‐isoxazoline has been studied within the Molecular Electron Density Theory at the B3LYP/6‐31(d,p) computational level. Given the multifunctionality of tomentosin, this 32CA reaction can take place along 16 competitive reaction paths. The chemo‐, regio‐,
Abdellah Zeroual +4 more
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AbstractThe [3+2] cycloaddition (32CA) reaction of tomentosin with benzonitrile oxide yielding a spiro‐isoxazoline has been studied within the Molecular Electron Density Theory at the B3LYP/6‐31(d,p) computational level. Given the multifunctionality of tomentosin, this 32CA reaction can take place along 16 competitive reaction paths. The chemo‐, regio‐,
Abdellah Zeroual +4 more
openaire +1 more source
Mechanistic Study of the [2 + 2] Cycloaddition of Ethylene With Ketene Derivatives via MEDT
Structural ChemistryAli Ben Ahmed +2 more
exaly +2 more sources
Organic & Biomolecular Chemistry
The [3 + 2] cycloaddition between C-( d -glucoso)- N -methyl nitrone and 1 H -pyrrole-2,5-dione proceeds via an asynchronous one-step mechanism.
Mohamed Chellegui +7 more
openaire +2 more sources
The [3 + 2] cycloaddition between C-( d -glucoso)- N -methyl nitrone and 1 H -pyrrole-2,5-dione proceeds via an asynchronous one-step mechanism.
Mohamed Chellegui +7 more
openaire +2 more sources
Organic & Biomolecular Chemistry, 2016
A combination of the bonding evolution theory and non-covalent interactions analyses of TSs makes it possible to characterise both the carbenoid-type 32CA reaction between a NY and a chiral oxazolidinone, and the diastereoselectivity experimentally observed.
Luis R. Domingo +2 more
openaire +2 more sources
A combination of the bonding evolution theory and non-covalent interactions analyses of TSs makes it possible to characterise both the carbenoid-type 32CA reaction between a NY and a chiral oxazolidinone, and the diastereoselectivity experimentally observed.
Luis R. Domingo +2 more
openaire +2 more sources
ChemistrySelect, 2018
Abstract The reactivity and regioselectivity of the [3+2] cycloaddition (32CA) reactions of a series of 4‐substituted‐aryl azides/alkynes in toluene have been explored experimentally. These 32CA reactions have been also studied within the Molecular Electron Density Theory (MEDT) using Density Functional Theory ...
Hicham Ben El Ayouchia +5 more
openaire +1 more source
Abstract The reactivity and regioselectivity of the [3+2] cycloaddition (32CA) reactions of a series of 4‐substituted‐aryl azides/alkynes in toluene have been explored experimentally. These 32CA reactions have been also studied within the Molecular Electron Density Theory (MEDT) using Density Functional Theory ...
Hicham Ben El Ayouchia +5 more
openaire +1 more source
Tetrahedron, 2019
Abstract The domino reactions of alkyne-tethered N-mesylhydrazones yielding fused polycyclic pyrazoles have been studied within the Molecular Electron Density Theory (MEDT). Analysis of the Gibbs free energies indicates that the more favourable reactive path is the one in which the elimination of mesylate anion takes place before the intramolecular ...
Fatemeh Ghodsi +5 more
openaire +1 more source
Abstract The domino reactions of alkyne-tethered N-mesylhydrazones yielding fused polycyclic pyrazoles have been studied within the Molecular Electron Density Theory (MEDT). Analysis of the Gibbs free energies indicates that the more favourable reactive path is the one in which the elimination of mesylate anion takes place before the intramolecular ...
Fatemeh Ghodsi +5 more
openaire +1 more source