Organic reaction mechanism classification using machine learning

J Burés, I Larrosa - Nature, 2023 - nature.com
A mechanistic understanding of catalytic organic reactions is crucial for the design of new
catalysts, modes of reactivity and the development of greener and more sustainable …

Improved Ruthenium Catalysts for Z-Selective Olefin Metathesis

BK Keitz, K Endo, PR Patel, MB Herbert… - Journal of the …, 2012 - ACS Publications
Several new C–H-activated ruthenium catalysts for Z-selective olefin metathesis have been
synthesized. Both the carboxylate ligand and the aryl group of the N-heterocyclic carbene …

Boosted molecular mobility during common chemical reactions

H Wang, M Park, R Dong, J Kim, YK Cho, T Tlusty… - Science, 2020 - science.org
Mobility of reactants and nearby solvent is more rapid than Brownian diffusion during
several common chemical reactions when the energy release rate exceeds a threshold …

Evolution of catalytic stereoselective olefin metathesis: from ancillary transformation to purveyor of stereochemical identity

AH Hoveyda - The Journal of organic chemistry, 2014 - ACS Publications
There have been numerous significant advances in catalytic olefin metathesis (OM) during
the past two decades. Such progress has transformed this important set of reactions to …

Key processes in ruthenium-catalysed olefin metathesis

DJ Nelson, S Manzini, CA Urbina-Blanco… - Chemical …, 2014 - pubs.rsc.org
While the fundamental series of [2+ 2] cycloadditions and retro [2+ 2] cycloadditions that
make up the pathways of ruthenium-catalysed metathesis reactions is well-established, the …

Water-accelerated decomposition of olefin metathesis catalysts

CO Blanco, DE Fogg - ACS catalysis, 2023 - ACS Publications
Water is ubiquitous in olefin metathesis, at levels ranging from contaminant to cosolvent. It is
also non-benign. Water-promoted catalyst decomposition competes with metathesis, even …

Bimolecular coupling as a vector for decomposition of fast-initiating olefin metathesis catalysts

GA Bailey, M Foscato, CS Higman… - Journal of the …, 2018 - ACS Publications
The correlation between rapid initiation and rapid decomposition in olefin metathesis is
probed for a series of fast-initiating, phosphine-free Ru catalysts: the Hoveyda catalyst HII …

Z-Selective Homodimerization of Terminal Olefins with a Ruthenium Metathesis Catalyst

BK Keitz, K Endo, MB Herbert… - Journal of the American …, 2011 - ACS Publications
The cross-metathesis of terminal olefins using a novel ruthenium catalyst results in excellent
selectivity for the Z-olefin homodimer. The reaction was found to tolerate a large number of …

On the mechanism of the initiation reaction in Grubbs–Hoveyda complexes

V Thiel, M Hendann, KJ Wannowius… - Journal of the American …, 2012 - ACS Publications
Grubbs–Hoveyda-type complexes with variable 4-R (complexes 1: 4-R= NEt2, O i Pr, H, F,
NO2) and 5-R substituents (complexes 2: 5-R= NEt2, O i Pr, Me, F, NO2) at the 2-isopropoxy …

The right computational recipe for olefin metathesis with Ru-based catalysts: The whole mechanism of ring-closing olefin metathesis

A Poater, E Pump, SVC Vummaleti… - Journal of Chemical …, 2014 - ACS Publications
The initiation mechanism of ruthenium methylidene complexes was studied detailing
mechanistic insights of all involved reaction steps within a classical olefin metathesis …