* Corresponding authors

^a Chemical Development, Boehringer Ingelheim Pharmaceuticals, Ridgefield, USA
E-mail: frank.roschangar@boehringer-ingelheim.com

^b Department of Statistics and Biostatistics, California State University East Bay, Hayward, USA

^c American Chemical Society Green Chemistry Institute, Washington District of Columbia 20036, USA

^d Pharmaceutical Sciences – Worldwide Research & Development, Pfizer, Groton, USA

^e Chemical Process R&D, Teva Pharmaceuticals, Malvern, USA

^f Pfizer, Sandwich, UK

^g Chemical and Synthetic Development, Bristol-Myers Squibb, New Brunswick, USA

^h Chemical & Analytical Development, Novartis Pharma, 4002 Basel, Switzerland

ⁱ API Chemistry, GlaxoSmithKline Medicines Research Centre, Stevenage, UK

^j Small Molecule Process Chemistry, Genentech, a Member of the Roche Group, South San Francisco, USA

^k Small Molecule Design and Development, Eli Lilly and Company, Indianapolis, USA

^l Process Chemistry, Takeda Pharmaceuticals International, Cambridge, USA

^m Process Chemistry, Merck, Rahway, USA

ⁿ Chemical Development, Bayer AG – Pharmaceuticals, Wuppertal 42096, Germany

^o Process Development, Amgen, Thousand Oaks, USA

^p Chemical Process Development, Boehringer Ingelheim Pharma GmbH & Co. KG, 88307 Biberach an der Riß, Germany

^q Chemical Process Development, Boehringer Ingelheim Pharma GmbH & Co. KG, 55216 Ingelheim am Rhein, Germany

^r Yale University, New Haven, USA

^s Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, South Africa

^t Delft University of Technology, 2628 BL Delft, Netherlands