Literature DB >> 19140780

Prediction of enantioselectivity in rhodium catalyzed hydrogenations.

Patrick J Donoghue1, Paul Helquist, Per-Ola Norrby, Olaf Wiest.   

Abstract

Using the Q2MM method, new molecular mechanics parameters were developed to perform initial screening of a chiral library to focus the experimental screening for the rhodium catalyzed hydrogenation of enamides. Computational predictions agree very well with experimental data.

Entities:  

Mesh：

Substances：

Year:  2009        PMID： 19140780     DOI： 10.1021/ja806246h

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  18 in total

1.  Designer substrate library for quantitative, predictive modeling of reaction performance.

Authors:  Elizabeth N Bess; Amanda J Bischoff; Matthew S Sigman
Journal:  Proc Natl Acad Sci U S A       Date:  2014-09-29       Impact factor: 11.205

2.  Hydrogenation catalyst generates cyclic peptide stereocentres in sequence.

Authors:  Diane N Le; Eric Hansen; Hasan A Khan; Byoungmoo Kim; Olaf Wiest; Vy M Dong
Journal:  Nat Chem       Date:  2018-07-30       Impact factor: 24.427

3.  A unified machine-learning protocol for asymmetric catalysis as a proof of concept demonstration using asymmetric hydrogenation.

Authors:  Sukriti Singh; Monika Pareek; Avtar Changotra; Sayan Banerjee; Bangaru Bhaskararao; P Balamurugan; Raghavan B Sunoj
Journal:  Proc Natl Acad Sci U S A       Date:  2020-01-08       Impact factor: 11.205

4.  Diastereoselectivity in Lewis-acid-catalyzed Mukaiyama aldol reactions: a DFT study.

Authors:  Joshua M Lee; Paul Helquist; Olaf Wiest
Journal:  J Am Chem Soc       Date:  2012-08-31       Impact factor: 15.419

5.  Application of Q2MM to predictions in stereoselective synthesis.

Authors:  Anthony R Rosales; Taylor R Quinn; Jessica Wahlers; Anna Tomberg; Xin Zhang; Paul Helquist; Olaf Wiest; Per-Ola Norrby
Journal:  Chem Commun (Camb)       Date:  2018-07-24       Impact factor: 6.222

6.  Transition-state charge stabilization through multiple non-covalent interactions in the guanidinium-catalyzed enantioselective Claisen rearrangement.

Authors:  Christopher Uyeda; Eric N Jacobsen
Journal:  J Am Chem Soc       Date:  2011-03-10       Impact factor: 15.419

7.  Transition State Force Field for the Asymmetric Redox-Relay Heck Reaction.

Authors:  Anthony R Rosales; Sean P Ross; Paul Helquist; Per-Ola Norrby; Matthew S Sigman; Olaf Wiest
Journal:  J Am Chem Soc       Date:  2020-05-14       Impact factor: 15.419

8.  Mechanism of amido-thiourea catalyzed enantioselective imine hydrocyanation: transition state stabilization via multiple non-covalent interactions.

Authors:  Stephan J Zuend; Eric N Jacobsen
Journal:  J Am Chem Soc       Date:  2009-10-28       Impact factor: 15.419

9.  Anomeric Effects in Sulfamides.

Authors:  Eric Hansen; Elaine Limé; Per-Ola Norrby; Olaf Wiest
Journal:  J Phys Chem A       Date:  2016-05-10       Impact factor: 2.781

10.  Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Quantum-Guided Molecular Mechanics.

Authors:  Jessica Wahlers; Michael Maloney; Farbod Salahi; Anthony R Rosales; Paul Helquist; Per-Ola Norrby; Olaf Wiest
Journal:  J Org Chem       Date:  2021-03-26       Impact factor: 4.354
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.