The borylation of aryl and heteroaryl C–H bonds is valuable for the site-selective
functionalization of C–H bonds in complex molecules. Iridium catalysts ligated by bipyridine …

New methods for the general asymmetric synthesis of sulfonimidamides are of great interest
due to their applications in medicinal chemistry, agrochemical discovery, and academic …

In the past decade, computational tools have become integral to catalyst design. They
continue to offer significant support to experimental organic synthesis and catalysis …

Data science is assuming a pivotal role in guiding reaction optimization and streamlining
experimental workloads in the evolving landscape of synthetic chemistry. A discipline-wide …

Significant progress has been made in recent years in the use of AI and Machine Learning
(ML) for catalyst discovery and optimisation. The effectiveness of ML and data science …

Dihydropyridines are versatile building blocks for the synthesis of pyridines,
tetrahydropyridines, and piperidines. Addition of nucleophiles to activated pyridinium salts …

A series of oxidative addition complexes with a general formula (t Bu3P) Pd (Ar) X, as a
class of precatalysts, were synthesized for challenging Suzuki–Miyaura coupling involving …

Chiral ligands are important components in asymmetric homogeneous catalysis, but their
synthesis and screening can be both time-consuming and resource-intensive. Data-driven …

In this study, we introduce an approach for predicting the enantioselectivity of P-chiral
monophosphorus ligands from ligand-based descriptors that can be applied to catalytic …

Interactions between catalysts and substrates can be highly complex and dynamic, often
complicating the development of models to either predict or understand such processes. A …