Results 81 to 90 of about 37,566 (244)

Exploring the Phe-Gly Dipeptide-Derived Piperazinone Scaffold in the Search for Antagonists of the Thrombin Receptor PAR1

open access: yesMolecules, 2014
A series of Phe-Gly dipeptide-derived piperazinones containing an aromatic urea moiety and a basic amino acid has been synthesized and evaluated as inhibitors of human platelet aggregation induced by the PAR1 agonist SFLLRN and as cytotoxic agents in ...
Ángel M. Valdivielso   +3 more
doaj   +1 more source

Theoretical Study on Regioselectivity of the Diels-Alder Reaction between 1,8-Dichloroanthracene and Acrolein

open access: yesMolecules, 2016
A theoretical study of the regioselectivity of the Diels-Alder reaction between 1,8-dichloroanthracene and acrolein is performed using DFT at the B3LYP/6-31G(d,p) level of theory.
Mujeeb A. Sultan   +3 more
doaj   +1 more source

Mechanism and Regioselectivity of the Osmium-Catalyzed Aminohydroxylation of Olefins

open access: yes, 2016
The mechanism and regioselectivity of the osmium-catalyzed aminohydroxylation of olefins was investigated in detail by density functional theory (B3LYP/6-31G(d)) calculations in the gas phase and with the CPCM-solvent model. A systematic variation of the
Thomas Strassner (1522915)   +1 more
core   +1 more source

On the functionalization of benzo[e][2,1]thiazine

open access: yesBeilstein Journal of Organic Chemistry, 2009
The reactions of benzo[e][2,1]thiazine-4-chloro-3-carbaldehydes 1 and benzo[e][2,1]thiazine-4-chloro-3-carbonitriles 2 with a number of oxidizing and reducing agents are reported.
Kirill Popov   +2 more
doaj   +1 more source

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin

open access: yesMolecules, 2019
The [3 + 2] cycloaddition (32CA) reaction of an α-santonin derivative, which has an exocyclic C⁻C double bond, with p-bromophenyl nitrile oxide yielding only one spiroisoxazoline, has been studied within the molecular electron density theory ...
Luis R. Domingo   +2 more
doaj   +1 more source

Diamine Synthesis:  Exploring the Regioselectivity of Ring Opening of Aziridinium Ions

open access: yes, 2016
Diamine Synthesis:  Exploring the Regioselectivity of Ring Opening of Aziridinium ...
Peter O'Brien (2445676)   +1 more
core   +1 more source

Ru-Catalyzed [3 + 2] Cycloaddition of Nitrile Oxides and Electron-Rich Alkynes with Reversed Regioselectivity

open access: yes, 2021
Polarity reversal ("umpolung") of a functional group can override its inherent reactivity and lead to distinct bond-forming modes. Herein we describe a rarely studied cycloaddition between nitrile oxides and electron-rich alkynes with reversed ...
Feng, Qiang, Huang, Hai, Sun, Jianwei
core   +1 more source

Regioselective Palmitoylation of 9-(2,3-Dihydroxy- propyl)adenine Catalyzed by a Glycopolymer-enzyme Conjugate

open access: yesMolecules, 2016
The enzymatic regioselective monopalmitoylation of racemic 9-(2,3-dihydroxypropyl)- adenine (DHPA), an approved antiviral agent, has been performed by an immobilized form of Candida antarctica B lipase (CAL-B) using a 4:1 DMF/hexane mixture as the ...
Jana Brabcová   +5 more
doaj   +1 more source

Chlorine Isotope Effects from Isotope Ratio Mass Spectrometry Suggest Intramolecular C-Cl Bond Competition in Trichloroethene (TCE) Reductive Dehalogenation

open access: yesMolecules, 2014
Chlorinated ethenes are prevalent groundwater contaminants. To better constrain (bio)chemical reaction mechanisms of reductive dechlorination, the position-specificity of reductive trichloroethene (TCE) dehalogenation was investigated.
Stefan Cretnik   +4 more
doaj   +1 more source

A Stereocontrolled Protocol to Highly Functionalized Fluorinated Scaffolds through a Fluoride Opening of Oxiranes

open access: yesMolecules, 2016
A novel selective and substrate-dependent synthetic protocol has been developed towards the synthesis of various fluorine-containing, highly functionalized cycloalkane derivatives.
Attila Márió Remete   +4 more
doaj   +1 more source

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