Quantifying Convergency in Multistep Syntheses

The degree of convergency is routinely cited as a hallmark of efficient syntheses, yet a simple quantitative score still remains to be applied. After deriving a new and easy-to-use metric based on a common understanding of convergency, this key performance indicator is applied to two dozen syntheses of various lengths and complexities. To reach a holistic picture, said metric is then combined with Baran's ideality approach to allow for the estimation of an overall efficiency, which can be equally applied to linear and convergent approaches. Finally, angles for optimization of synthetic planning can be derived by analyzing the influencing factors driving convergency and synthetic efficiency.