Release 24.2 - May 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.

• Improved Comment Section: Add comments to your analyses using our improved comment section. For shared analyses, comments are shared with and open to all collaborators. See how many comments are added to your analysis on the Comment icon. Unread comments are highlighted in blue.
• Shared Analyses: See which of your analyses are shared and with how many collaborators on the Share Analysis icon.
• Shared Path Library: Click on the Eye icon to see the structures of target molecules included in the library in a popup window.

• Enzymatic Chemistry Expert-Coded Rules: A subset of expert-coded rules covering enzymatic chemistry has been added as an extra database option. These rules may suggest enzymatic reactions as a green alternative to traditional chemistry. Enzymatic Chemistry expert-coded rules are enabled by default.

• Default Path View Options: Select Building Block View or Pathway View as your default view when you open a result page.
• Shared Path Library: Resize reactions schemes using the up/down arrows at the bottom of each pathway.
• Safer Chemical Ingredients List Icons: Molecules included in the Safer Chemical Ingredients List published by the United States Environmental Protection Agency (EPA) display an icon indicating their level of toxicological and environmental concerns in Building Block View and on their Molecule Card.

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

• Acid-mediated cyclization of 4-phenanthrenecarboxylic acid to 4,5-phenanthrylene ketone
• Alkylation of anilines
• Alpha-hydroxylation of lactones
• Arbuzov reactions
• Benzaldehyde and nickel-catalyzed photoredox C-H alkylation of ethers
• Benzaldehyde and nickel-catalyzed photoredox C-H arylation of ethers
• Benzylic C-H fluorination of 4-alkylpyridines
• Conversion of C=O to C=S
• Convertion of lactone to lactam with aliphatic amine
• Conversion of lactone to n-hydroxylactam
• Copper-catalyzed decarboxylation
• Coupling of dibromomethane with bromoarenes
• Cyclization-trapping reaction of acetals of 4-arylbutyraldehydes and sulfinates
• Deacylation reaction
• Decarboxylation of phosphonium salts
• Difluoromethylation of C-H acids
• Electrochemical stereoselective aryl C-H functionalization
• Epimerization of aldehydes followed by 1,2-addition of Grignard reagents and oxidation of alcohols
• Epoxidation of alkenes
• Epoxide opening by acetonitrile
• Formation of alkenes via elimination of vicinal diols
• Hydrolysis of cyanide followed by lactonization
• Hydrolysis of geminal dibromides
• Indium-catalyzed synthesis of acylphosphine oxides
• Indium-catalyzed synthesis of acylphosphine sulfides
• Indium-catalyzed synthesis of acylphosphines
• Indium-catalyzed synthesis of diphosphanes
• Indium-catalyzed synthesis of pentaphospholanes
• Intramolecular cyclization reaction
• Intramolecular lactone formation
• Intramolecular opening of epoxide by hydroxylamine
• Isomerization of olefins
• Isomerization of terminal double bond
• Kornblum-Delamare rearrangement
• Lactone reduction with silyl moiety migration
• Light- and metal-mediated trifluoromethylation
• Light- and metal mediated C-H alkylation
• Light-mediated aroylation of activated alkenes
• Light-mediated synthesis of alpha,beta-unsaturated ketones
• Methylation of heteroarenes
• Oxidation of 4,5-methylenephenanthrene to 4,5-methylenephenanthrene-9,10-quinone
• Oxidation of primary benzylic bromides to aldehydes
• Oxidative cross-coupling of tetrahydroisoquinolines
• Oxidative cyclization of tyrosine derivatives
• Palladium-catalyzed C-H arylation of benzylamines
• Photo-mediated trifluoromethylation of arenes
• Photocatalytic allylic C-H alkylation of enol silyl ethers
• Photocatalytic alpha-acylation of ethers via C-H activation
• Photocatalytic C-H alkylation of amines followed by cyclization
• Photocatalytic C-H alkylation of trifluoromethanesulfonamide
• Photocatalytic carboazidation of alkenes
• Photocatalytic carbomethoxydifluoromethylation of hetereoarenes
• Photocatalytic carbomethoxydifluoromethylation of styrenes
• Photocatalytic carbonitrilation of alkenes
• Photocatalytic difluoromethylation of enamides, enols, selenols and thiols
• Photocatalytic fluorocarboborylation
• Photocatalytic functionalizations of methylenecyclopropanes
• Photocatalytic hydrocarbomethoxydifluoromethylation of alkenes
• Photocatalytic hydrodifluoromethylation of enamides
• Photocatalytic hydrotrifluoromethylthiolation of inactivated alkanes, alkenes and alkynes
• Photocatalytic keto-difluoroacetylation of styrenes
• Photocatalytic methoxycarbonyldifluoromethylation
• Photocatalytic para-selective trifluoromethylation of benzamides
• Photocatalytic stereoselective alpha-acylation of n-benzoyl amines via C-H activation
• Photocatalytic stereoselective C-H sulfonylation
• Photocatalytic tandem bis(difluoromethylation) cyclization reaction
• Photocatalytic tandem difluoromethylation cyclization reaction
• Photocatalytic tandem difluoromethylation ring expansion reaction
• Photocatalytic trifluoromethylative pyridylation of inactivated alkenes
• Photooxygenation of dienes
• Photoredox-catalysed coupling of arenes
• Photoredox benzylic C-H arylation of arenes
• Photoredox chromium-catalyzed functionalization of aldehydes via C-H activation
• Photoredox copper-catalyzed functionalization of benzylic positions
• Photoredox nickel-catalyzed alpha-arylation of primary alcohols
• Photoredox stereoselective benzylic C-H carbamoylation
• Photoredox stereoselective C-H arylation of amides
• Photoredox stereoselective difluroalkylation of indanones
• POCl3-mediated opening of cyclic sulfonates to form rhodamine core and sulphonyl chloride functional group
• Preparation of phosphonium salts
• Protection of vicinal diols with acetone
• Reduction of allyl acetates
• Reduction of esters
• Reduction of hemiacetals to diols
• Removal of acetonoid moiety from the vicinal diol
• Selective acetylation of secondary alcohols
• Selective removal of TBDPS from primary alcohols
• Selective silylation of secondary alcohols
• Simultaneous acetylation of phenols and primary amines
• Simultaneous hydrolysis of pthalimides and demethylation of metoxyphenols
• Stereoselective Baeyer-Villiger oxidation
• Stereoselective C-H arylation of ethers
• Stereoselective reduction of lactones to hemiacetals
• Stereoselective [2+2] cycloaddition
• Sulfenylation of diketopiperazines
• Synthesis of acyl chlorides from esters
• Synthesis of bis(acyl)phosphane oxides
• Synthesis of bis(acyl)phosphanes
• Synthesis of bisacylphosphines
• Synthesis of cyclic hydrazides
• Synthesis of dienes from allyl trifluoroacetates
• Synthesis of diketopiperazines from amino acids
• Synthesis of enecarbonates
• Synthesis of fluoran derivatives
• Synthesis of ketals
• Synthesis of oxazines
• Synthesis of rhodamines
• Synthesis of terminal allenes from terminal alkynes
• Synthesis of tert-butyl carbamates
• Synthesis of thiolactones
• Synthesis of trans-octahydroindoles via epimerization and ring-closing metathesis
• Synthesis of xanthenes
• Tetrabromination of dihydrodibenzopentalene
• Wolff rearrangement followed by reaction with tert-butyl amine and hydrolysis

Version 24.2 of SYNTHIA™ has been tested with Chrome versions 122.0.6261.112 and 124.0.6367.62, Microsoft Edge version 124.0.2478.51 on Windows 10 Enterprise, and Mac OS Sonoma 14.3.1.