Understanding the kinetic solvent effects on the 1, 3‐dipolar cycloaddition of benzonitrile N‐oxide: a DFT study
The kinetic solvent effects on the 1, 3‐dipolar cycloaddition (13DC) of benzonitrile N‐oxide
with cyclopentene [T. Rispens and JBFN Engberts, J. Phys. Org. Chem. 2005; 18, 908–917] …
with cyclopentene [T. Rispens and JBFN Engberts, J. Phys. Org. Chem. 2005; 18, 908–917] …
Kinetic solvent effects on 1, 3‐dipolar cycloadditions of benzonitrile oxide
T Rispens, JBFN Engberts - Journal of physical organic …, 2005 - Wiley Online Library
Abstract The kinetics of 1, 3‐dipolar cycloadditions of benzonitrile oxide with a series of N‐
substituted maleimides and with cyclopentene are reported for water, a wide range of …
substituted maleimides and with cyclopentene are reported for water, a wide range of …
Revealing stepwise mechanisms in dipolar cycloaddition reactions: computational study of the reaction between nitrones and isocyanates
The mechanism of cycloaddition reactions of nitrones with isocyanates has been studied
using density functional theory (DFT) methods at the M06-2X/cc-pVTZ level of theory. The …
using density functional theory (DFT) methods at the M06-2X/cc-pVTZ level of theory. The …
Understanding the molecular mechanism of the [3 + 2] cycloaddition reaction of benzonitrile oxide toward electron‐rich N‐vinylpyrrole: a DFT study
The [3+ 2] cycloaddition (32CA) reaction of benzonitrile oxide, BNO 2, with an electron‐rich
N‐vinylpyrrole derivative, NVP 3a, in the presence of dichloromethane, has been …
N‐vinylpyrrole derivative, NVP 3a, in the presence of dichloromethane, has been …
Ab initio and DFT studies on the mechanism of the 1, 3-dipolar cycloaddition reaction between nitrone and sulfonylethene chloride
K Marakchi, O Kabbaj, N Komiha, R Jalal… - Journal of Molecular …, 2003 - Elsevier
The molecular mechanism for the 1, 3-dipolar cycloaddition of nitrone with sulfonylethene
chlorides has been studied using ab initio and DFT methods at the HF, MP2 and B3LYP …
chlorides has been studied using ab initio and DFT methods at the HF, MP2 and B3LYP …
Unveiling [3+ 2] cycloaddition reactions of benzonitrile oxide and diphenyl diazomethane to cyclopentene and norbornene: a molecular electron density theory …
N Acharjee, HA Mohammad-Salim… - Theoretical Chemistry …, 2021 - Springer
A molecular electron density theory (MEDT) study is performed for the [3+ 2] cycloaddition
(32CA) reactions of benzonitrile oxide (BNO) and diphenyldiazomethane (DPDM) to …
(32CA) reactions of benzonitrile oxide (BNO) and diphenyldiazomethane (DPDM) to …
DFT‐HSAB Prediction of Regioselectivity in 1, 3‐Dipolar Cycloadditions: Behavior of (4‐Substituted) benzonitrile Oxides towards Methyl Propiolate
A Ponti, G Molteni - Chemistry–A European Journal, 2006 - Wiley Online Library
Abstract The regioselectivity of 1, 3‐dipolar cycloadditions between (4‐substituted)
benzonitrile oxides and methyl propiolate cannot be rationalized on the basis of the electron …
benzonitrile oxides and methyl propiolate cannot be rationalized on the basis of the electron …
Insights into the mechanism and regiochemistry of the 1, 3-dipolar cycloaddition reaction between benzaldehyde and diazomethane
K Abbiche, H Mohammad-Salim, M Salah… - Theoretical Chemistry …, 2020 - Springer
Abstract The 1, 3-dipolar cycloaddition reaction of benzaldehyde with diazomethane is
investigated, in gas phase and in diverse polar solvents, using the molecular electron …
investigated, in gas phase and in diverse polar solvents, using the molecular electron …
Theoretical Study of 1, 3‐Dipolar Cycloaddition Reactions with Inverse Electron Demand− A DFT Study of the Lewis Acid Catalyst and Solvent Effects in the Reaction …
LR Domingo - European Journal of Organic Chemistry, 2000 - Wiley Online Library
The molecular mechanism for the inverse electron demand 1, 3‐dipolar cycloaddition of
nitrones with vinyl ethers has been characterized using density functional theory methods …
nitrones with vinyl ethers has been characterized using density functional theory methods …
A DFT study of the mechanism and selectivities of the [3 + 2] cycloaddition reaction between 3‐(benzylideneamino)oxindole and trans‐β‐nitrostyrene
C Sobhi, A Khorief Nacereddine… - Journal of Physical …, 2017 - Wiley Online Library
The mechanism and regioselectivities and stereoselectivities of the [3+ 2] cycloaddition
(32CA) reaction of 3‐(benzylideneamino) oxindole (AY) and trans‐β‐nitrostyrene have been …
(32CA) reaction of 3‐(benzylideneamino) oxindole (AY) and trans‐β‐nitrostyrene have been …