Results 51 to 60 of about 14,677 (287)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Catalytic enantioselective construction of vicinal quaternary carbon stereocenters

Chemical Science, 2020
This review summarizes the advances in catalytic enantioselective construction of vicinal quaternary carbon stereocenters, introduces major synthetic strategies and discusses their advantages and limitations, and outlines the synthetic opportunities.
Feng Zhou, Lei Zhu, Bo-Wen Pan, Yang Shi, Yun-Lin Liu, Jian Zhou   +5 more
openaire   +3 more sources

Atroposelective Construction of Axially Chiral Tetraarylethenes Via NHC‐Catalyzed Desymmetrization

Advanced Science, EarlyView.
We report the first NHC‐catalyzed atroposelective synthesis of axially chiral TAEs via oxidative desymmetrization of prochiral TAE dialdehydes. This catalytic strategy operates under mild conditions and accommodates a broad range of phenolic and nitrogen nucleophiles, delivering diverse axially chiral TAEs in good yields and up to 99% ee.
Yang‐Ze Zheng, Ting‐Rui Luan, Ming‐Hao Song, Zhaofeng Sun, Chuan‐Jun Lu, Long‐Long Xi, Ren‐Rong Liu   +6 more
wiley   +1 more source

(E)-1-(2,4-Dinitrophenyl)-2-(2-((1R,3R,5S,Z)-2-ethylidene-6,6-dimethylbicyclo[3.1.1]heptan-3-yl)ethylidene)hydrazine

Molbank
The hydrovinylation of nopadiene gave a single 1,4-addition product (1) as an oil. A 3- step transformation of 3 gave 2,4-dinitrophenylhydrazone 6 as a crystalline compound.
Zhengjie He, Sergey Lindeman, William A. Donaldson   +2 more
doaj   +1 more source

Squaramide-Catalyzed Asymmetric Mannich Reaction between 1,3-Dicarbonyl Compounds and Pyrazolinone Ketimines: A Pathway to Enantioenriched 4-Pyrazolyl- and 4-Isoxazolyl-4-aminopyrazolone Derivatives

Molecules, 2022
A series of N-Boc ketimines derived from pyrazolin-5-ones have been used as electrophiles in enantioselective Mannich reactions with different 1,3-dicarbonyl compounds.
Marta Gil-Ordóñez, Camille Aubry, Cristopher Niño, Alicia Maestro, José M. Andrés   +4 more
doaj   +1 more source

The Construction of All-Carbon Quaternary Stereocenters by Use of Pd-Catalyzed Asymmetric Allylic Alkylation Reactions in Total Synthesis [PDF]

, 2013
All-carbon quaternary stereocenters have posed significant challenges in the synthesis of complex natural products. These important structural motifs have inspired the development of broadly applicable palladium-catalyzed asymmetric allylic alkylation ...
Hong, Allen Y., Stoltz, Brian M.
core   +1 more source

α-Photooxygenation of chiral aldehydes with singlet oxygen

Beilstein Journal of Organic Chemistry, 2019
Organocatalytic α-oxygenation of chiral aldehydes with photochemically generated singlet oxygen allows synthesizing chiral 3-substituted 1,2-diols. Stereochemical results indicate that the reaction in the presence of diarylprolinol silyl ethers is highly
Dominika J. Walaszek, Magdalena Jawiczuk, Jakub Durka, Olga Drapała, Dorota Gryko   +4 more
doaj   +1 more source

A Streamlined Strategy for Aglycone Assembly and Glycosylation [PDF]

, 2013
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/102092/1/13647_ftp.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/102092/2/anie_201307680_sm_miscellaneous_information ...
Bader, Scott J., Buchan, Zachary A., Montgomery, John, Partridge, Katherine M., Taylor, Christopher E.   +4 more
core   +2 more sources

Total synthesis of jiadifenolide. [PDF]

, 2014
As a potent neurotrophic agent, the sesquiterpenoid jiadifenolide represents a valuable small-molecule lead for the potential therapeutic treatment of neurodegenerative diseases.
Dalby, Stephen M, Paterson, Ian, Xuan, Mengyang   +2 more
core   +2 more sources

Photocatalyzed Epimerization of Quaternary Stereocenters

Journal of the American Chemical Society
Quaternary stereocenters play a crucial role in shaping both the molecular topology of small molecules and the outcome of stereoselective transformations. While considerable progress has been achieved in constructing highly substituted carbon centers with varied substitution patterns, the stereoselective synthesis of quaternary carbon centers remains a
Licheng Wu, Baylee N. McIntyre, Supeng Wu, Ziqi Jiao, Carter B. Fox, Nathan D. Schley, Alexander W. Schuppe   +6 more
openaire   +2 more sources