Results 11 to 20 of about 29,422 (294)
Ferrocenoylation of Uracil Derivatives: Study of Reaction Regioselectivity and Biological Activity [PDF]
MoleculesThe N-ferrocenoylation of uracil was studied to evaluate regioselectivity and optimise preparation protocols. Regioselectivity was monitored under various reaction conditions, with particular attention paid to the effects of the solvent and the base ...
Jasmina Lapić +4 more
doaj +2 more sources
Regioselectivity of conjugate additions to monoalkyl-1,4-benzoquinones [PDF]
Journal of the Serbian Chemical Society, 2002 The regioselectivity of the reaction of conjugate addition of thiols amines, methanol and hydrogen chloride with the monoalkyl-1,4-benzoquinones avarone and 2-tert-butyl- 1,4-benzoquinone was investigated.
Božić Tatjana T. +5 more
doaj +4 more sources
Predicting Flavonoid UGT Regioselectivity [PDF]
Advances in Bioinformatics, 2011 Machine learning was applied to a challenging and biologically significant protein classification problem: the prediction of avonoid UGT acceptor regioselectivity from primary sequence. Novel indices characterizing graphical models of residues were proposed and found to be widely distributed among existing amino acid indices and to cluster residues ...
Jackson, Rhydon +3 more
openaire +5 more sources
Regioselective Monoborylation of Spirocyclobutenes
Organic Letters, 2021 We present a strategy for the synthesis of spirocyclic cyclobutanes with modulable exit vectors based on the regioselective monoborylation of spirocyclobutenes. Using an inexpensive copper salt and a commercially available bidentate phosphine, a broad variety of borylated spirocycles have been prepared with complete regiocontrol.
Luis Nóvoa +4 more
openaire +4 more sources
Understanding a substrate's product regioselectivity in a family of enzymes: a case study of acetaminophen binding in cytochrome P450s. [PDF]
PLoS ONE, 2014 Product regioselectivity as influenced by molecular recognition is a key aspect of enzyme catalysis. We applied large-scale two-dimensional (2D) umbrella sampling (USP) simulations to characterize acetaminophen (APAP) binding in the active sites of the ...
Yue Yang +2 more
doaj +1 more source
Scientific Reports, 2021 Enzymes with low regioselectivity of substrate reaction sites may produce multiple products from a single substrate. When a target product is produced industrially using these enzymes, the production of non-target products (byproducts) causes adverse ...
Jinzen Ikebe +4 more
doaj +1 more source
Can we predict ambident regioselectivity using the chemical hardness?
, 2023 The hard/soft acid/base (HSAB) principle is a cornerstone in our understanding of chemical reactivity preferences. Motivated by the success of the original (e.g., "global") version of this rule, a "local" counterpart was readily proposed to account for ...
Ramon, Miranda-Quintana +3 more
core +1 more source
Superseding Substrate Control with Catalyst Control to Improve Regioselectivity in Aryne Annulations
, 2022 The utility of reactions using unsymmetrically substituted aryne intermediates is negatively impacted by issues with regioselectivity. There have been numerous reports about how to enhance or reverse this regioselectivity in metal-free aryne reactions by
Brylon, Denman +2 more
core +1 more source
Regioselective Oxyselenenylation [PDF]
Chemistry Letters, 1987 Abstract The regioselective oxyselenenylation of terminal olefins or cycloalkenes was achieved via olefin oxymercuration and subsequent radical substitution by selenenylating reagent such as S-benzoyl Se-phenyl selenosulfide, diphenyl diselenide, or phenylselenocyanide.
Takeshi Toru +3 more
openaire +1 more source
, 2022 Fast and accurate prospective predictions of the regioselectivity can significantly reduce the time and resources spent on unproductive transformations in the pharmaceutical industry.
Shu, Yu +4 more
core +1 more source