Release 5.3 - August 2020

We are constantly working to improve your experience with SYNTHIA™ Retrosynthesis Software. Here is a summary of what has changed.

What’s New

 
  • Try ‘Power Search’, a new filter that helps optimize analyses for natural products and complex molecules, by combining three different search processes, which work in conjunction to find advanced ways of building complex molecules more efficiently
  • Find MultiRX reactions, one of the ‘Power Search’ processes which applies multiple matching reaction conditions to different functional groups at once

 

Fixes and Improvements

 
  • Resolved issue with special characters preventing generation of PDF reports
  • Rescaled molecule and reaction cards, so that they are not cut off when opened too close to the edge of the application window
  • Improved similar reactions searches to generate results faster

 

Chemistry

1080 new expert rules have been added, covering reactions such as:

  • Decarboxylation of carboxypyridones
  • Aminolysis of esters to primary amides
  • Direct C-H amidation
  • Formation and reduction of nitrosamines
  • Synthesis of 1,4,2-dioxazole-5-ones, 1,4,2-dioxazole-5-thiones, isothiasoles, 1,2,4-thiadiazoles, and pyrazoles
  • Synthesis and functionalization of sulfoximines
  • Chan-Lam couplings
  • Epoxidation of vinyl ethers, nitroalkenes, sulfonylalkenes and other vinyl derivatives
  • CH fluoridation N-heterocycles
  • Stereoselective reduction of alkenes

 

Databases

The database of commercial compounds has been updated, to include:

  • 229,355 new compounds
  • 4.78 million updated compounds
  • For a total of 17,392,316 published compounds, including 7,014,712 commercial compounds

 

 

Version 5.3.0 of SYNTHIA™ has been tested with Chrome version 78.0.3904.108 on Windows 10, Chrome versions 84.0.4147.105, 83.0.4103.106 and 83.0.4103.116 on Mac OS 10.14.6, and Chrome version 83.0.4103.106 on MacOS 10.15.4.