Anthropogenic reaction parameters - the missing link between chemical intuition and the available chemical space

Keserű, György Miklós and Soós, Tibor and Kappe, CO (2014) Anthropogenic reaction parameters - the missing link between chemical intuition and the available chemical space. CHEMICAL SOCIETY REVIEWS, 43. pp. 5387-5399. ISSN 0306-0012

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Abstract

How do skilled synthetic chemists develop such a good intuitive expertise ? Why can we only access such a small amount of the available chemical space — both in terms of the re actions used and the chemical scaffolds we make? We argue here that these seemingly unrelated questions have a common root and are strongly interdependent . We performed a comprehensive analysis of organic reaction parameters dating back to 1771 and discove red that there are several anthropogenic factors that limit the reaction parameters and thus the scop e of synthetic chemistry. Nevertheless, many of the anthropogenic limitations such as the narrow parameter space and the opportunity of the rapid and clear feedback on the progress of reactions appear to be crucial for the acquisition of valid and reliable chemical intuition. In parallel, however, all of these same factors represent limitations for the exploration of available chemistry space and we argue th at these are thus at least partly responsible for limited access to new chemistries. We advocate, therefore, that the present anthropogenic boundaries can be expanded by a more conscious expl oration of “off - road” chemistry that would also extend the intuit ive knowledge of trained chemists.

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