Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future

Cites (244)

Items 201–244 of 244

1. Ligand distortion modes leading to increased chirality content of Katsuki‐Jacobsen catalysts
   Kenny B. Lipkowitz, Sabine Schefzick · 2002 · Chirality
2. Optimization of Palladium-Catalyzed Polyene Cyclizations: Suppression of Competing Hydride Transfer from Tertiary Amines with Dabco and an Unexpected Hydride Transfer from 1,4-Dioxane
   Stephen Y. W. Lau, Neil G. Andersen, Brian A. Keay · 2001 · Organic Letters
3. The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: insights from a 3D-QSSR and DFT study
   Longfei Li, Yuhui Pan, Ming Lei · 2016 · Catalysis Science & Technology
4. Evaluating continuous chirality measure as a 3D descriptor in chemoinformatics applied to asymmetric catalysis
   Andrew F. Zahrt, Scott E. Denmark · 2019 · Tetrahedron
5. Relationship between Chirality Content and Stereoinduction: Identification of a Chiraphore
   Daquan Gao, Sabine Schefzick, Kenny B. Lipkowitz · 1999 · Journal of the American Chemical Society
6. Combining traditional 2D and modern physical organic-derived descriptors to predict enhanced enantioselectivity for the key aza-Michael conjugate addition in the synthesis of Prevymis™ (letermovir)
   Toni T. Metsänen, Katrina W. Lexa, Celine B. Santiago, Cheol Keun Chung, Yingju Xu, Zhijian Liu, Guy R. Humphrey, Rebecca T. Ruck, Edward C. Sherer, Matthew S. Sigman · 2018 · Chemical Science
7. A Priori Theoretical Prediction of Selectivity in Asymmetric Catalysis: Design of Chiral Catalysts by Using Quantum Molecular Interaction Fields
   James C. Ianni, Venkatachalam R. Annamalai, Puay‐Wah Phuan · 2006 · Angewandte Chemie
8. Measuring symmetry in structural chemistry
   Hagit Zabrodsky, David Avnir · 1995 · Advances in molecular structure research
9. Enantiomeric Excesses and Electronic Chirality Measure
   Luca Bellarosa, Francesco Zerbetto · 2003 · Journal of the American Chemical Society
10. Design of a Genetic Algorithm for the Simulated Evolution of a Library of Asymmetric Transfer Hydrogenation Catalysts
    Nicolas Vriamont, Bernadette B. Govaerts, Pierre Grenouillet, Claude de Bellefon, Olivier Riant · 2009 · Chemistry - A European Journal
11. Steric effects. V. Barriers to internal rotation
    Marvin Charton, Barbara I. Charton · 1975 · Journal of the American Chemical Society
12. Steric Effect of Protonated Tertiary Amine in Primary–Tertiary Diamine Catalysis: A Double-Layered Sterimol Model
    Yaning Wang, Han Zhou, Kai Huai Yang · 2018 · Organic Letters
13. Regularized regression analysis of digitized molecular structures in organic reactions for quantification of steric effects
    Shigeru Yamaguchi, Takahiro Nishimura, Yuta Hibe, Masaki Nagai, Hirofumi Sato, Ian Johnston · 2017 · Journal of Computational Chemistry
14. Physicochemical Stereodescriptors of Atomic Chiral Centers
    Qingyou Zhang, João Aires‐de‐Sousa · 2006 · Journal of Chemical Information and Modeling
15. Computational screening of combinatorial catalyst librariesElectronic supplementary information (ESI) available: predicted and observed e.e. values for the 88 catalysts in the library; full CoMFA parameters; aligned molecular coordinates. See http://www.rsc.org/suppdata/cc/b4/b402378a/
    James L. Melville, Benjamin I. Andrews, Barry Lygo, Jonathan D. Hirst · 2004 · Chemical Communications
16. A chiral [(dipyridylphosphine)RuCl2(1,3-diphenylpropanediamine)] catalyst for the hydrogenation of aromatic ketones
    Gabriela A. Grasa, Antonio Zanotti‐Gerosa, William P. Hems · 2006 · Journal of Organometallic Chemistry
17. QSAR Study of Catalytic Asymmetric Reactions with Topological Indices
    Chen Jiang, Yougui Li, Qingshan Tian · 2003 · Journal of Chemical Information and Computer Sciences
18. QSAR analysis of the catalytic asymmetric ethylation of ketone using physical steric parameters of chiral ligand substituents
    Huayin Huang, Hua Zong, Bin Shen · 2014 · Tetrahedron
19. Perturbation theory model of reactivity and enantioselectivity of palladium-catalyzed Heck–Heck cascade reactions
    C. Blázquez-Barbadillo, Eider Aranzamendi, Estíbaliz Coya, Esther Lete, Nuria Sotomayor, Humberto González‐Díaz · 2016 · RSC Advances
20. Chiral Brønsted Acid‐Catalyzed Enantioselective α‐Amidoalkylation Reactions: A Joint Experimental and Predictive Study
    Eider Aranzamendi, Sonia Arrasate, Nuria Sotomayor, Humberto González‐Díaz, Esther Lete · 2016 · ChemistryOpen
21. Quantum molecular interaction field models of substrate enantioselection in asymmetric processes☆
    Marisa C. Kozlowski, James C. Ianni · 2010 · Journal of Molecular Catalysis A Chemical
22. Study on the Catalytic Behavior of Bifunctional Hydrogen‐Bonding Catalysts Guided by Free Energy Relationship Analysis of Steric Parameters
    Chen Yang, Jie Wang, Yang Liu · 2017 · Chemistry - A European Journal
23. Remote Substituent Effects on the Enantiomeric Excess of Intramolecular Asymmetric Palladium-Catalyzed Polyene Cyclizations
    Stephen Y. W. Lau, Brian A. Keay · 1999 · Synlett
24. Chiral β-Amino Thiol Catalysts for the Enantioselective Addition of Diethylzinc to Aldehydes
    강자효, 김정환, 이준원 · 1996 · Bulletin of the Korean Chemical Society
25. Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design☆
    Christopher R. Corbeil, Nicolas Moitessier · 2010 · Journal of Molecular Catalysis A Chemical
26. Calculation on enantiomeric excess of catalytic asymmetric reactions of diethylzinc addition to aldehydes with topological indices and artificial neural network
    Chen Jiang, Wen Jiwu, Ming-Zong Li · 2006 · Journal of Molecular Catalysis A Chemical
27. Steric effects. 8. Racemization of chiral biphenyls
    Marvin Charton · 1977 · The Journal of Organic Chemistry
28. Steric effects. 9. Substituents at oxygen in carbonyl compounds
    Marvin Charton · 1977 · The Journal of Organic Chemistry
29. Steric effects. 12. Substituents at phosphorus
    Marvin Charton, Barbara I. Charton · 1978 · The Journal of Organic Chemistry
30. Steric effects. 11. Substituents at sulfur
    Marvin Charton, Barbara I. Charton · 1978 · The Journal of Organic Chemistry
31. Steric effects. IV. E1 and E2 eliminations
    Marvin Charton · 1975 · Journal of the American Chemical Society
32. Asymmetric Catalytic Ketone Hydrogenation: Relating Substrate Structure and Product Enantiomeric Excess Using QSPR
    Johannes B. van der Linden, Erik‐Jan Ras, Simone M. Hooijschuur et al. · 2005 · QSAR & Combinatorial Science
33. Continuous Chirality Measure in Reaction Pathways of Ruthenium‐Catalyzed Transfer Hydrogenation of Ketones
    Jan‐Willem Handgraaf, Joost N. H. Reek, Luca Bellarosa · 2005 · Advanced Synthesis & Catalysis
34. Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: A new family of C1-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions
    José Ignacio García, Gonzalo Jiménez‐Osés, Beatriz López-Sánchez · 2010 · Dalton Transactions
35. Steric effects. 6. Hydrolysis of amides and related compounds
    Marvin Charton · 1976 · The Journal of Organic Chemistry
36. The derivation of a chiral substituent code for secondary alcohols and its application to the prediction of enantioselectivity
    Jingjie Suo, Qingyou Zhang, Jing-Ya Li · 2013 · Journal of Molecular Graphics and Modelling
37. Machine learning induction of chemically intuitive rules for the prediction of enantioselectivity in the asymmetric syntheses of alcohols
    Fangfang Zheng, Qingyou Zhang, Jingya Li · 2015 · Chemometrics and Intelligent Laboratory Systems
38. Steric effects. 10. Substituents at nitrogen in carbonyl compounds
    Marvin Charton · 1977 · The Journal of Organic Chemistry
39. Virtual screening of a combinatorial library of enantioselective catalysts with chirality codes and counterpropagation neural networks
    Qingyou Zhang, Dandan Zhang, Jing-Ya Li · 2011 · Chemometrics and Intelligent Laboratory Systems
40. Modified CoMFA methods for the analysis of antineoplastic effects of lignan analogues
    Howard B. Broughton, Marina Gordaliza, M. A. CASTRO · 2000 · Journal of Molecular Structure THEOCHEM
41. QSAR study of the enantiomeric excess in asymmetric catalytic reactions with topological indices and an artificial neural network
    Chen Jiang, Daliang Li, Ji‐Wu Wen · 2006 · Journal of Molecular Modeling
42. De Novo Chiral Amino Alcohols in Catalyzing Asymmetric Additions to Aryl Aldehydes.
    Jian Qiang Huang, James C. Ianni, J. Antoline · 2006 · ChemInform
43. Further Developments of an Enantioselective Palladium-Catalyzed Polyene Cyclization: Surprising Solvent and Ligand Effects
    Brian A. Keay, Daniela Lucciola · 2011 · Synlett
44. Untitled work
    Kolb · 2001 · 10.1002/1521-3773(20010601)40:11