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Regioselective synthesis of new 5H,10H-dipyrimido[2,1-b:4′,5′-d][1,3]thiazine: a combined experimental and computational study

Type: Journal Paper

Author : Toktam Afrough; Mehdi Bakavoli; Hossein Eshghi; Javad Tajabadi; Joel Mague

Year: 2019

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Regioselective synthesis of new 5H,10H-dipyrimido[2,1-b:4′,5′-d][1,3]thiazine: a combined experimental and computational study

Type: Journal Paper

Author : Toktam Afrough; Mehdi Bakavoli; Hossein Eshghi; Javad Tajabadi; Joel Mague

Year: 2019

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Synthesis of a functionalized tetrahydro-1,4-thiazepine in water as the solvent and theoretical investigation of its tautomeric structures

Type: Journal Paper

Author : Mehdi Bakavoli; Mohammad Rahimizadeh; Heidar Raissi; Hamid Beyzaei; Javad Tajabadi

Publisher: Springer

Year: 2008

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1,3-Dipolar cycloaddition reactions between ethyl diazoacetate and substituted alkynes: A density functional theory study

Type: Journal Paper

Author : Javad Tajabadi; Mehdi Bakavoli; Mostafa Gholizadeh; Hossein Eshghi; Amir Khojastehnezhad

Year: 2014

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Synthesis of dihydrobenzo[b]pyrimido[4,5-e][1,4]thiazepines; derivatives of a novel ring system

Type: Journal Paper

Author : Marzieh Akbarzadeh; Mehdi Bakavoli; Hossein Eshghi; Ali Shiri; Javad Tajabadi

Year: 2015

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Density functional theory study of the regio and stereoselectivity in 1,3-Dipolar cycloddition reactions between N-methyl methylenenitrone and fluorinated dipolarophiles

Type: Journal Paper

Author : Mohammad Rahimizadeh; Hossein Eshghi; Amir Khojastehnezhad; Farid Moeinpour; Mehdi Bakavoli; Javad Tajabadi

Year: 2014

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Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Type: Journal Paper

Author : Amir Khojastehnezhad; Hossein Eshghi; Farid Moeinpour; Mehdi Bakavoli; Mohammad Izadyar; Javad Tajabadi

Year: 2015

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Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Type: Journal Paper

Author : Amir Khojastehnezhad; Hossein Eshghi; Farid Moeinpour; Mehdi Bakavoli; Mohammad Izadyar; Javad Tajabadi

Year: 2015

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Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, AIM and NBO studies

Type: Journal Paper

Author : Heidar Raissi; Mehdi Bakavol; Isaac Jimenez-Fabian; Javad Tajabadi; Effat Mdoshfeghi; Abraham F. Jalbout

Year: 2007

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A mechanistic insight into the effect of piperidine as an organocatalyst on the [3 + 2] cycloaddition reaction of benzalacetone with phenyl azide from a computational study

Type: Journal Paper

Author : جواد تاج آبادی; مهدی بکاولی; مصطفی قلی زاده; حسین عشقی; javad tajabadi; Mehdi Bakavoli; Mostafa Gholizadeh; Hossein Eshghi

Year: 2016

Abstract:

Several transition structures (TSs) for catalyst-free [3 + 2] cycloaddition and two plausible mechanistic

pathways for the organocatalyzed [3 + 2] cycloaddition (32CA) between benzalacetone and phenyl azide

were ...

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Regioselective synthesis of new 5H,10H-dipyrimido[2,1-b:4′,5′-d][1,3]thiazine: a combined experimental and computational study

Regioselective synthesis of new 5H,10H-dipyrimido[2,1-b:4′,5′-d][1,3]thiazine: a combined experimental and computational study

Synthesis of a functionalized tetrahydro-1,4-thiazepine in water as the solvent and theoretical investigation of its tautomeric structures

1,3-Dipolar cycloaddition reactions between ethyl diazoacetate and substituted alkynes: A density functional theory study

Synthesis of dihydrobenzo[b]pyrimido[4,5-e][1,4]thiazepines; derivatives of a novel ring system

Density functional theory study of the regio and stereoselectivity in 1,3-Dipolar cycloddition reactions between N-methyl methylenenitrone and fluorinated dipolarophiles

Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, AIM and NBO studies

A mechanistic insight into the effect of piperidine as an organocatalyst on the [3 + 2] cycloaddition reaction of benzalacetone with phenyl azide from a computational study

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Regioselective synthesis of new 5H,10H-dipyrimido[2,1-b:4′,5′-d][1,3]thiazine: a combined experimental and computational study

Regioselective synthesis of new 5H,10H-dipyrimido[2,1-b:4′,5′-d][1,3]thiazine: a combined experimental and computational study

Synthesis of a functionalized tetrahydro-1,4-thiazepine in water as the solvent and theoretical investigation of its tautomeric structures

1,3-Dipolar cycloaddition reactions between ethyl diazoacetate and substituted alkynes: A density functional theory study

Synthesis of dihydrobenzo[b]pyrimido[4,5-e][1,4]thiazepines; derivatives of a novel ring system

Density functional theory study of the regio and stereoselectivity in 1,3-Dipolar cycloddition reactions between N-methyl methylenenitrone and fluorinated dipolarophiles

Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, AIM and NBO studies

A mechanistic insight into the effect of piperidine as an organocatalyst on the [3 + 2] cycloaddition reaction of benzalacetone with phenyl azide from a computational study