A linear three-center four electron bonding identity nucleophilic substitution at carbon, boron, and phosphorus. A theoretical study in combination with van't Hoff modeling

2009 ◽  
Vol 110 (7) ◽  
pp. 1412-1424 ◽  
Author(s):  
Henk M. Buck
Keyword(s):  
Nucleophilic Substitution ◽  
Theoretical Study

Theoretical Study of Nucleophilic Substitution at Two-Coordinate Sulfur

2001 ◽  
Vol 66 (6) ◽  
pp. 2005-2010 ◽  
Author(s):  
Steven M. Bachrach ◽  
BettyCep D. Gailbreath
Keyword(s):  
Nucleophilic Substitution ◽  
Theoretical Study

Facile access to novel chromeno-2,6,9-trioxabicyclo[3.3.1]nonadienes via tandem nucleophilic substitution and [4+2] hetero Diels–Alder reaction: experimental and theoretical study

Tetrahedron ◽  
2013 ◽  
Vol 69 (9) ◽  
pp. 2142-2149 ◽  
Author(s):  
Satyanarayana Reddy Jaggavarapu ◽  
Anand Solomon Kamalakaran ◽  
Gaddamanugu Gayatri ◽  
Matsyendranath Shukla ◽  
Kavita Dorai ◽  
...  
Keyword(s):  
Nucleophilic Substitution ◽  
Theoretical Study ◽  
Alder Reaction ◽  
Diels Alder ◽  
Diels Alder Reaction

Theoretical study on the mechanism and enantioselectivity of NHC-catalyzed intramolecular SN2′ nucleophilic substitution: what are the roles of NHC and DBU?

2018 ◽  
Vol 5 (9) ◽  
pp. 1493-1501 ◽  
Author(s):  
Huimin Zhang ◽  
Hao Xu ◽  
Huining Bai ◽  
Donghui Wei ◽  
Yanyan Zhu ◽  
...  
Keyword(s):  
Nucleophilic Substitution ◽  
Catalytic Mechanism ◽  
Theoretical Study ◽  
Dft Method

A possible catalytic mechanism was proposed and studied in very detail by using the DFT method for a recently reported enantioselective intramolecular SN2′ substitution of aldehydes with trisubstituted allylic bromides.

Theoretical study of mechanisms of aromatic nucleophilic substitution in the gas phase

1993 ◽  
Vol 284 (1-2) ◽  
pp. 123-137 ◽  
Author(s):  
Boris Ya. Simkin ◽  
Evgenii B. Gluz ◽  
Michail N. Glukhovtsev ◽  
Vladimir I. Minkin
Keyword(s):  
Nucleophilic Substitution ◽  
Gas Phase ◽  
Theoretical Study ◽  
Aromatic Nucleophilic Substitution

Nucleofugality hierarchy, in the aminolysis reaction of 4-cyanophenyl 4-nitrophenyl carbonate and thionocarbonate. Experimental and theoretical study

2021 ◽  
Author(s):  
Rodrigo Montecinos ◽  
M. Aliaga ◽  
Paulina Pavez ◽  
Patricio Cornejo ◽  
Jose G Santos
Keyword(s):  
Nucleophilic Substitution ◽  
Theoretical Study ◽  
Substitution Reactions ◽  
Nucleophilic Substitution Reactions ◽  
Group Effects

Nucleophilic substitution reactions of title compounds have been investigated with a series of secondary alicyclic amines in several solvents. The solvent, amine, and electrophilic group effects on kinetics, mechanism and...

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