Do you ever…

…wish you could explore the chemistry around a specific disconnection? 

SYNTHIA™ can help!

You can instruct SYNTHIA™ to find pathways that include reactions forming a particular disconnection by marking the corresponding bonds as Reaction Center.

How do I define the bonds I want to disconnect?

• In the molecule editor, highlight the bonds you would like to see disconnected.
• Double-click on one of the selected bonds to open the Bond Menu.

• In the Bond Menu, under Reaction Center, select Center and click Apply.

The selected bonds are now defined as Reaction Center, and a pound sign (#) will appear across them.

Once you have marked the bonds you want to disconnect as Reaction Center, select your analysis parameters and start the analysis. SYNTHIA™ will prioritize pathways that include reactions forming the highlighted bonds.

This feature is ideal for:

• Exploring new synthetic routes by forcing results through reactions you haven’t tried yet.
• Identifying reactions that may form specific bonds.

Something to remember…  

You may want to increase the number of iterations for your analysis to give SYNTHIA™ more opportunities to explore options for bonds marked as Reaction Center.

• For simple molecules, start with 2000 to 5000 iterations.
• For complex molecules with stereocenters or intricate ring systems, increase the number to 10,000 iterations.

You can always stop the analysis when you’re satisfied with the results.

Try it for yourself! Explore bonds as Reaction Center today!