Plan smarter with predictive retrosynthesis

CAS SciFinder is built on the largest collection of reaction data and gives you the ability to interact with your synthesis plan in real time.

• Design optimal synthesis plans from target to starting materials. 
• Explore alternatives at every step with visible evidence. 
• Connect your plans with reaction details, supplier data, and more.

Every retrosynthesis plan is created for a unique purpose. CAS SciFinder allows you to fully customize your plan from start to finish, enabling increased creativity and stronger results.

• Focus on specific parts of a known or predicted molecule.
• Adjust your plan based on yield, starting material cost, complexity, and more.
• Exclude entire steps or individual reactants that don’t meet your criteria.

Transparency is a key component of effective retrosynthesis planning. With integrated evidence, CAS SciFinder provides key information for each proposed step so you can make informed decisions.

• Explore experimental precedents based on existing literature. 
• See reagent and condition details. 
• Dive into alternate routes with comparative data.

The CAS SciFinder retrosynthesis capabilities are powered by:

• CAS-curated reaction data – the largest, most accurate collection of diverse chemical reactions, extracted from journals and patents and curated by scientists. 
• The CAS Content Collection™ – a comprehensive, human-curated scientific knowledgebase that supports reliable, evidence-based synthesis planning. 
• AI trained on verified, structured data – enabling predictive retrosynthesis that’s transparent, reproducible, and grounded in real-world chemistry, not aggregated from unverified sources.