Abstract

Chemistry is an experimental science, but the way to find the best solution to a chemical challenge is not always by brute-force massive screening. Actually, a knowledge-driven approach can be more effective to find the optimal solution, while providing at the same time new valuable knowledge. Detailed knowledge about reaction mechanisms is crucial to better control chemical reactions as well as to discover new processes.

This talk contains mechanistic studies and new solutions for aminocatalytic reactions, together with a new data analysis method to elucidate the order in any reagent of a reaction. Regardless of the specific reactions presented, the strategies and tools provided will result interesting for a broad audience in the catalysis field.