Release 24.5 - December 2024

We are pleased to announce several enhancements and updates in our latest release, aimed at improving user experience and functionality.

• Improved Diversity for Library Compounds: We have made enhancements to increase the diversity of compounds generated within your Diversity Libraries.
• Expanded Reaction Selection: Access a broader range of reactions to choose from when building your libraries.
• Fixed Known Issue: You can now generate diversity library analyses using analyses that include only one type of starting material (either Commercial Compounds or Published Compounds).
   

• Addition of Pistachio Database: We have integrated the Pistachio database, giving you access to over 14 million of up-to-date published reactions sourced from patents filed with the United States Patent and Trademark Office (USPTO), the European Patent Office (EPO), and the World Intellectual Property Organization (WIPO).
• Science of Synthesis Database Update: The Science of Synthesis database has been updated to ensure access to the latest information.
   

• Rename Target Molecules: You can rename target molecules within the Shared Path Library, making it easier to organize and clarify your work.
   

• Filter by Favorite Pathways: Filter your results to display only the pathways you have marked as favorites for quicker access.
   

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

• Amide coupling reaction
• Aminocyclization of bromoesters
• Anti-markovnikov hydrocarboxylation of alkenes
• Asymmetric synthesis of alpha-alkylated n-sulfinyl imidates
• Asymmetric synthesis of alpha-alkylated n-sulfinyl imidates followed by hydrolysis
• Chiral resolution of diastereoisomers
• Dihalogenation of 1,4-dihydropyrrolo[3,2-b]pyrroles
• Enzyme-catalyzed reaction novozyme-catalysed esterification reaction
• One-pot synthesis of n-substituted 3-amino-2-pyridones
• One-pot synthesis of n-substituted 3-nitro-2-pyridones
• Oxidative desulfurization of mercaptotriazoles
• Photocatalytic hydroalkylation of styrenes with diazo compounds
• Photoredox-catalyzed defluorinative alkylation
• Photoredox-catalyzed defluorinative alkylation followed by deprotection
• Photoredox-catalyzed synthesis of piperazines
• Photoredox-catalyzed synthesis of piperazines followed by deprotection
• Ring contraction reaction
• Ruthenium-catalyzed azide-alkyne cycloaddition
• Stereoselective decarboxylative difluoromethylation
• Stereoselective decarboxylative difluoromethylation followed by hydrolysis of benzamides
• Synthesis of 1,2,4-triazolin-5-thiones
• Synthesis of 1,3-dihydrobenzo[d][1,3]oxaphospholes
• Synthesis of 1,4-dihydropyrrolo[3,2-b]pyrroles
• Synthesis of 1,4-dihydropyrrolo[3,2-b]pyrroles followed by cleavage of thiazoles to aldehydes
• Synthesis of 5,10-dihydroindolo[3,2-b]indoles
• Synthesis of 5-mercapto-1,2,4-triazoles
• Synthesis of alkynylboronic esters
• Synthesis of aryl uracils via formal cross-dimerization of di-tert-butyldiaziridinone and cyclopropenones
• Synthesis of aryl uracils via formal cross-dimerization of di-tert-butyldiaziridinone and cyclopropenones followed by deprotection
• Synthesis of benzoazepinones via formal cross-dimerization of aziridines and benzocyclobutenones
• Synthesis of benzoazepinones via formal cross-dimerization of aziridines and benzocyclobutenones followed by n-detosylation
• Synthesis of cyclopropenones
• Synthesis of dihydropyridinones via formal cross-dimerization of aziridines and cyclopropenones
• Synthesis of dihydropyridinones via formal cross-dimerization of aziridines and cyclopropenones followed by n-detosylation
• Synthesis of indolo[3,2-b]indoles via palladium-catalyzed c-h activation
• Synthesis of n-tert-butanesulfinyl imidates
• Synthesis of n-tert-butanesulfinyl imidates followed by diastereoselective alpha-fluorination, reduction and hydrolysis
• Synthesis of n-tert-butanesulfinyl imidates followed by diastereoselective alpha-fluorination
• Synthesis of n-tert-butanesulfinyl imidates followed by diastereoselective alpha-fluorination and hydrolysis
• Synthesis of n-tert-butanesulfinyl imidates followed by diastereoselective alpha-fluorination and reduction
• Synthesis of phosphoryl chlorides
• Synthesis of unsymmetrical 1,4-dihydropyrrolo[3,2-b]pyrroles
• Transition-metal-free synthesis of ynamides

Version 24.5 of SYNTHIA™ has been tested with Chrome versions 131.0.6778.86 and 131.0.6778.87 on Windows 10 Enterprise, and Mac OS Sonoma 14.7.