Sanjosé-Orduna Jesús, Mudarra Ángel L, Martínez de Salinas Sara, Pérez-Temprano Mónica H
Institute of Chemical Research of Catalonia, ICIQ), Avgda. Països Catalans 16, 43007, Tarragona, Spain.
Departament de Química Analítica i Química Orgànica, Universitat Rovira i Virgili, C/ Marcel⋅lí Domingo s/n, 43007, Tarragona, Spain.
ChemSusChem. 2019 Jul 5;12(13):2882-2897. doi: 10.1002/cssc.201900914. Epub 2019 Jun 12.
The sustainable synthesis of relevant scaffolds for their use in the pharmaceutical, agrochemical, and materials sectors constitutes one of the most urgent challenges that the chemical community needs to overcome. In this context, the development of innovative and more efficient catalytic processes based on a fundamental understanding of the underlying reaction mechanisms remains a largely unresolved challenge for academic and industrial chemists. Herein, selected examples of computational and experimental knowledge-driven approaches for the rational design of transition-metal-catalyzed transformations are discussed.
合成适用于制药、农用化学品和材料领域的相关支架的可持续方法，是化学界需要克服的最紧迫挑战之一。在这种背景下，基于对潜在反应机理的深入理解来开发创新且更高效的催化过程，对学术化学家和工业化学家而言，仍是一个很大程度上尚未解决的挑战。本文讨论了一些基于计算和实验知识驱动的方法来合理设计过渡金属催化转化的实例。
