3-Difluormethyl-5-carbomethoxy-2, 4-pyrazole: Molecular mechanism of the formation and molecular docking study
A Barhoumi, N Ourhriss, M Belghiti… - Current Chemistry …, 2023 - growingscience.com
Application of the Molecular Electron Density Theory (MEDT) for the exploration of the [3+ 2]
cycloaddition processes between methyl propynoate 1 and difluoromethyldiazomethane T …
cycloaddition processes between methyl propynoate 1 and difluoromethyldiazomethane T …
MEDT Study of the 1, 3-DC Reaction of Diazomethane with Psilostachyin and investigation about the interactions of some pyrazoline derivatives with Protease (Mpro) …
M Salah, ME Belghiti, AO Aitouna, A Zeroual… - Journal of Molecular …, 2021 - Elsevier
The molecular electronic density theory (MEDT) was invested to elucidate the chemo-, regio-
and stereo-selectivity of the 1, 3-dipolar cycloaddition between Diazomethane (DZM) and …
and stereo-selectivity of the 1, 3-dipolar cycloaddition between Diazomethane (DZM) and …
Molecular docking, elucidating the regiospecificity and the mechanism of [3+ 2] cycloloaddition reaction between azidobenzene and propiolaldehyde
K Ryachi, A Barhoumi, M Atifa, A Eşme… - Current Chemistry …, 2024 - growingscience.com
Molecular electron density theory has been performed with the B3LYP/6-31 (d, p) method to
study the [3+ 2] cycloaddition processes between azidobenzene and propionaldehyde, the …
study the [3+ 2] cycloaddition processes between azidobenzene and propionaldehyde, the …
Investigation of the molecular mechanism and diastereoselectivity in the [3+ 2] cycloaddition reaction between acetonitrile oxide and Cis-3, 4-Dichlorocyclobutene …
AO Aitouna, H Mohammad-Salim, A Zeroual… - Computational and …, 2023 - Elsevier
cycloaddition (32CA) reactions involving acetonitrile oxide 1 and cis-3, 4-
dichlorocyclobutene 2 has been investigated via Molecular Electron Density Theory (MEDT) …
dichlorocyclobutene 2 has been investigated via Molecular Electron Density Theory (MEDT) …
[PDF][PDF] Divulging the various chemical reactivity of trifluoromethyl-4-vinyl-benzene as well as methyl-4-vinyl-benzene in [3þ2] cycloaddition reactions
AO Aitouna, M Salah, A Zeroual… - Journal of Molecular …, 2021 - researchgate.net
abstract In the present paper, an investigation about the [3 þ 2] cycloaddition (32 CA)
reactions of benzonitrile oxide with 1-trifluoromethyl-4-vinyl-benzene, and with 1-methyl-4 …
reactions of benzonitrile oxide with 1-trifluoromethyl-4-vinyl-benzene, and with 1-methyl-4 …
Divulging the various chemical reactivity of trifluoromethyl-4-vinyl-benzene as well as methyl-4-vinyl-benzene in [3+ 2] cycloaddition reactions
M El Idrissi, A Eşme, Y Hakmaoui… - Journal of Molecular …, 2021 - Elsevier
In the present paper, an investigation about the [3+ 2] cycloaddition (32 CA) reactions of
benzonitrile oxide with 1-trifluoromethyl-4-vinyl-benzene, and with 1-methyl-4-vinyl …
benzonitrile oxide with 1-trifluoromethyl-4-vinyl-benzene, and with 1-methyl-4-vinyl …
Spectroscopic and Structural Investigations on Novel 6-Amino-3-Phenyl-4-(Pyridin-4-yl)-2,4-Dihydropyrano[2,3-c] Pyrazole-5-Carbonitrile by FT-IR, NMR, Docking …
The present work deals with a comparative experimental and theoretical study on a synthetic
analog of biologically relevant 4 H-pyran motif. We have performed spectral and structural …
analog of biologically relevant 4 H-pyran motif. We have performed spectral and structural …
DFT mechanistic study of [4+ 2] cycloaddition reactions of 1-methyl-1H-pyrrole-2, 5-dione with furoic acid, anticancer Activity, molecular modeling and ADMET …
T Boutadghart, R Ghailane - Computational and Theoretical Chemistry, 2023 - Elsevier
Abstract The [4+ 2] cycloaddition reactions of 1-methyl-1H-pyrrole-2, 5-dione, with furan-2-
carboxylic acid, 5-methylfuran-2-carboxylic acid and 5-(hydroxymethyl)-furan-2-Carboxylic …
carboxylic acid, 5-methylfuran-2-carboxylic acid and 5-(hydroxymethyl)-furan-2-Carboxylic …
Understanding the origin of reactivity, mechanism and regioselectivity of the [3+ 2] cycloaddition reaction between nitrile imine and pyrrolopyrazine
H Hamdaoui, A Khorief Nacereddine… - Journal of Physical …, 2023 - Wiley Online Library
In this work, we have performed a computational study on the [3+ 2] cycloaddition (32CA)
reaction between nitrile imine and pyrrolopyrazine within molecular electron density theory …
reaction between nitrile imine and pyrrolopyrazine within molecular electron density theory …
Mpro-SARS-CoV-2 inhibitors and various chemical reactivity of 1-bromo-and 1-chloro-4-vinylbenzene in [3+ 2] cycloaddition reactions
M El Idrissi, M El Ghozlani, A Eşme, M Ríos-Gutiérrez… - Organics, 2021 - mdpi.com
The regioselectvity and the mechanism of the (32CA) cycloadditions reactions of 1-bromo-4-
vinylbenzene 1 and 1-chloro-4-vinylbenzene 2 with benzonitrile oxide 3 were investigated …
vinylbenzene 1 and 1-chloro-4-vinylbenzene 2 with benzonitrile oxide 3 were investigated …