Release 24.1 - March 2024

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

• Shared Pathway Library: Design a synthetic plan for your library of analogue compounds. Synthia will identify common synthetic steps and intermediates to help you find late-stage divergent syntheses.
  
  

• New Regulated List Included: The regulated compound list from the US Department of Justice Drug Enforcement Administration has been added to SYNTHIA™.
• Updated Molecule Editor: The molecule editor has been updated to its latest version. Different bond types can now be selected at once to mark them as reaction center or not reaction center.
   

• Reference Links for Published Compounds: Find articles and patents links that reference published compounds in the molecule card.
• Pathway View and Expanded Pathway View: Double click near a reaction arrow to zoom in and center the reaction in view. Double click again to zoom out.

The database of commercial compounds has been updated, including:

• 43,215 new compounds,
• Over 7,1000,000 updated compounds,
• For a total of 20,456,534 published compounds, including 8,220,553 commercial compounds.

868 new expert rules have been added, including rules for:

• Cobalt-catalyzed C-H activation and following annulation
• Copper-catalyzed alkylation of conjugated dienes via aliphatic C-H bond activation
• Copper-catalyzed asymmetric dicarboxylation of 1,3-dienes with CO2
• Copper-catalyzed benzylic C-H functionalization
• Dehydrogenative coupling of benzylic and aldehydic C-H bonds
• Diastereoselective fluorocyclopropanation
• Diastereoselective fluorocyclopropanation followed by deprotection and oxidation of diols
• Direct C-H fluorination of 3-heteroaryl-oxindoles
• Electrochemical ruthenium-catalyzed C-H functionalization of arenes
• Electrochemical vicinal C-H difunctionalization
• Enantioselective hydrosulfonylation of olefins through photoenzymatic catalysis
• Free-radical-mediated halotrifluoromethylation of olefins
• Light-driven coupling of alcohols and 1,4-naphthoquinones
• Light-promoted C-H activation followed by radical addition to N-tosylimines
• Meta-selective C-H amination of benzylamines
• Nickel-catalyzed coupling of aryl and alkyl bromides With C-H photoactivated amides
• Organocatalytic C-H functionalization
• Ortho-amino(thio)phenol synthesis via dearomative-rearomative coupling between aryl azides and alcohols or thiols
• Ortho-phenylenediamines synthesis via dearomative-rearomative coupling between aryl azides and amines
• Ortho-selective C-H fluorination of benzaldehydes
• Ortho-selective C-H methylation of benzaldehydes
• [2+2+2]-benzannulation via ruthenium-catalyzed C-H activation
• Palladium-catalyzed coupling of tosylhydrazones with 4-hydroxy-2-pyridones
• Palladium-catalyzed [3 + 2] annulation through dual C-H activation
• Photocatalytic alpha-alkylation of cyclic amines
• Photocatalytic C-H heteroarylation
• Photocatalytic decarboxylative Trifluoromethylation of arenes
• Photocatalytic regioselective selective trifluroethylation of imidazole derivatives
• Photocatalytic regioselective trifluroethylation of imidazole derivatives
• Photocatalytic trifluromethylation of arenes
• Photocatalyzed hydrofunctionalization of alkenes
• Photoinduced triazole synthesis from tetrazoles and primary amines
• Preparation of gem-difluoro alkanes
• Regioselective fluorination of azaarenes
• Rhodium-catalyzed C-H activation and annulation cascade
• Rhodium-catalyzed double C-H functionalization of indoles
• Rhodium-catalyzed photocatalytic difluoroalkylation of 2-acyl imidazoles
• Rhodium-catalyzed photocatalytic stereoselective difluoroalkylation of 2-acyl imidazoles
• Ring expansion of cyclic boronates
• Ring expansion of indoles and pyrroles
• Ruthenium-catalyzed chemoselective C(sp3)-h monoarylation of 8-methyl quinolines
• Stereoselective boracarboxylation of arylalkenes
• Stereoselective photocatalytic trifluoromethylation of benzylic position
• Stereoselective Simmons-Smith fluorocyclopropanation of allylic alcohols
• Synthesis of 1,4-dicarbonyls via photocatalytic C-H activation
• Synthesis of alpha-fluoro olefinated arenes via the C-H/C-F coupling
• Trifluoromethoxylation of silyl enol ethers

Version 24.1 of SYNTHIA™ has been tested with Chrome versions 122.0.6261.69, 122.0.6261.96, 122.0.6261.112 and 122.0.6261.129, Microsoft Edge version 122.0.2365.80 on Windows 10 Enterprise 21H2 and 22H2, and Mac OS Sonoma 14.3.1.