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Intramolecular Palladium(II)-catalyzed 6-endo C-H alkenylation directed by the remote N-protecting group. Mechanistic insight and application to the synthesis of dihydroquinolines
(American Chemical Society, 2019-12-30)
A protocol for the Pd(II)-catalyzed C-H alkenylation reaction of substituted N-allylanilines
via an unusual 6-endo process has been developed. A DFT study of the mechanistic pathway has shown
that the coordination of the ...
Pd(II)-Catalyzed C-H Acylation of (Hetero)arenes. Recent Advances
(MDPI, 2020-07-16)
Di(hetero)aryl ketones are important motifs present in natural products, pharmaceuticals or agrochemicals. In recent years, Pd(II)-catalyzed acylation of (hetero)arenes in the presence of an oxidant has emerged as a catalytic ...
Perturbation-Theory and Machine Learning (PTML). Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies
(American Chemical Society, 2018-06-13)
Machine Learning (ML) algorithms are gaining importance in the processing of chemical information and modelling of chemical reactivity problems. In this work, we have developed a PTML model combining Perturbation-Theory ...
Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa
(Elsevier, 2021-02-18)
The developing of antibacterial resistance is becoming in crisis. In this sense, natural
products play a fundamental role in the discovery of antibacterial agents with diverse
mechanisms of action. Phytochemical investigation ...
Carbopalladation/Suzuki Coupling Cascade for the Generation of Quaternary Centers. Access to Pyrrolo[1,2-b]isoquinolines
(American Chemical Society, 2019-07-29)
A convergent route to pyrrolo[1,2-b]isoquinolines with a quaternary center at C-10 has been
developed, that implies a sequential Pd(0)-catalyzed carbopalladation followed by cross-coupling
reaction with boronic acids. ...
Palladium-Catalyzed Dehydrogenative Coupling: An Efficient Synthetic Strategy for the Construction of the Quinoline Core
(MDPI, 2017-09)
Palladium-catalyzed dehydrogenative coupling is an efficient synthetic strategy for the construction of quinoline scaffolds, a privileged structure and prevalent motif in many natural and biologically active products, in ...
Inter- and intramolecular enantioselective carbolithiation reactions
(Beilstein Institut, 2013-02)
In this review we summarize recent developments in inter- and intramolecular enantioselective carbolithiation reactions carried out in the presence of a chiral ligand for lithium, such as (-)-sparteine, to promote facial ...
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks
(American Chemical Society, 2019-02-25)
Predicting the activity of new chemical compounds over pathogenic microorganisms with different metabolic reaction networks (MRNs) is an important goal due to the different susceptibility to antibiotics. The ChEMBL database ...
Palladium(II)-catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes
(American Chemical Society, 2019-01-14)
The intramolecular Pd(II)-catalyzed alkenylation of aryl homoallyl ethers constitutes a mild,
versatile, and efficient procedure for the synthesis of highly and diversely substituted chromanes, and
2H-chromenes. The use ...
Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins.
(American Chemical Society, 2021-11-09)
[EN]Highly substituted coumarins, privileged and versatile scaffolds for bioactive natural products and fluorescence imaging, are obtained via a Pd(II)-catalyzed direct C–H alkenylation reaction (Fujiwara–Moritani reaction), ...