Optimising synthesis: SYNTHIA & green chemistry

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Source: © Merck

Reduce step counts, improve yields and atom economy while reducing environmental impact, all with a little computational help

Cover of white paper: Computer-assisted synthetic route optimisation using SYNTHIA retrosynthesis software

This free white paper from Merck presents two case studies that demonstrate improved syntheses of known compounds with reduced step counts, improved yields, and improved atom economy using SYNTHIA retrosynthesis software.

Synthetic chemistry is plagued by challenges and inefficiencies, such as lengthy synthesis processes, high costs and environmental concerns. Increasingly, chemists are using advanced computational tools to enhance the efficiency, sustainability and cost-effectiveness of chemical synthesis, making use of both expert-coded rules and published literature to optimise synthetic pathways.

In this free, detailed resource, you will discover how Merck’s SYNTHIA retrosynthesis software guided R&D chemists to a streamlined, more environmentally benign synthesis of two promising compounds.

Download now to gain:

  • Insight into the capabilities of SYNTHIA  retrosynthesis software in optimising synthetic routes, leading to more efficient and cost-effective chemical synthesis.
  • Understanding of how SYNTHIA can reduce step counts, improve yields and enhance atom economy, contributing to greener chemistry practices.
  • Knowledge of practical applications through detailed case studies, demonstrating the tangible benefits of incorporating SYNTHIA into the route planning process for complex chemical syntheses.
  • Awareness of the integration of SYNTHIA with DOZN tools to evaluate and improve the green chemistry aspects of synthetic routes, promoting environmentally friendly practices.
  • Enhanced decision-making skills for chemists and researchers by showcasing how computer-assisted tools like SYNTHIA can generate innovative ideas and optimise synthetic pathways in the lab.