Release 6.5 - March 2023

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

Analysis Dashboard

• New design with updated analysis tiles and a dedicated tile to start new analyses
• Analysis Tags: use descriptive keywords to tag your analyses for easy retrieval (tags replaced folders)
• New left-panel Filters to quickly find your analyses
   

Results

• Build and export a Shopping List of commercial starting materials with up-to-date pricing and availability
• Published Reactions are included in Automatic Retrosynthesis analysis results

• Fixed issue that prevented the creation of pdf reports

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

• Alkylation of Amines and Phosphites with Alkyl Halides
• Alpha-hydroxymethylation of Aldehydes
• Amination of Pyrimidine Derivatives
• Atherton-Todd Synthesis
• Chiral Resolution of Alcohol, Amine, Carboxylic Acids, Phosphonic Acids and Sulfonic Acids Enantiomers
• Condensation of C-H Acids with Formates Followed by Alkylation
• Condensation of C-H Acids with Orthoesters
• Copper-catalyzed Radical Cyclization Followed by Reduction
• Cyclization of Hydroxy Aldehydes to Hemiacetals
• Dehydration of Sugars
• Deoxofluorination of Alcohols and Amino Alcohols
• Difluorination of Aldehydes, Ketones and Thioesters
• Difluoromethylation of Alcohols, Carboxylic Acids, Ketones and BOC-protected Amines
• Dimerization of 1-Hydroxy-1,1-bisphosphonates
• Formation of Diarylcyclopropenone Enamines
• Friedel-Crafts Reactions
• Hafner Annulation
• Hydrolysis of Bisphosphonic Acid Derivatives, Esters of Bisphosphonic Acid and Phosphonates
• Hydroxymethylation of DOP-derivative
• Isomerisation of 1-Cyclopentenecarboxylates
• Michael Addition
• Oxidation of Lactols to Lactones
• Ozonolysis of 2-Cyclopentenecarboxylates
• Preparation of Difluoromethylene Phosphobetaine
• Reaction of Guanidines with Cyclopropenones
• Reduction of Cyclic Anhydrides to Omega-hydroxy Lactones, and Hemiacetals to Alcohols
• Schmidt Glycosylation
• Selective Tritylation
• Synthesis of 1-Hydroxy-1,1-bisphosphonates, 1-Hydroxy-1,1-bisphosphonic Acids and 1-Thio-1,1-bisphosphonic Acids
• Synthesis of 3-Hydroxypyrazinamide
• Synthesis of Alpha-chloro-thioethers
• Synthesis of Aminomethylenebisphosphonic Acids, Aminomethylenebisphosphonic Esters and Bisphosphonic Acids
• Synthesis of N-iminoquinazolinium Ylides
• Synthesis of Organoboron Compounds
• Synthesis of Pyrazolo[1,5-c]quinazolines
• Synthesis of Substituted Pyrazolo[1,5-c]quinazolines
• Synthesis of Tetraethyl Vinylidene Phosphonate
• Synthesis of Thioureas from Aryl Isothiocyanate

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

• 1,410,710 new compounds
• Over 4,5000,000 updated compounds
• For a total of 18,970,840 published compounds, including 8,666,475 commercial compounds

Version 6.5 of SYNTHIA™ has been tested with Chrome version 101.0.4951.67, 102.0.5005.115, 103.0.5060.114, 107.0.5304.106, -110, -121 and 108.0.5359.98, Microsoft Edge version 98.0.1108.51 and 103.0.1264.51 on Windows 10 and Mac OS Monterey 12.2, 12.4, 12.6 and Ventura 13.0.1.