Release 23.3 - December 2023

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

• Efficient analysis setup
  Select analysis type and configuration on one page.
• Improved Saved Configurations
  Select a preset analysis configuration from an expanded list covering a wider variety of chemistry needs.
• Similarity search for target molecules
  Find commercial or published molecules matching or similar to your target molecule.
• ‘New Analysis’ button in header
  Start a new analysis from anywhere in the application.
   

• Resize individual pathways in Pathway View
  Vertical arrows at the bottom of each pathway allows you to expand it for a better view.
• Clickable link for patents
  Direct link to Google Patents where you can find information about authors, claims, and links to the original document.
   

1119 new expert rules have been added, including rules for:

• Addidtion of Fluorobis(phenylsulfonyl)methane to Aldehydes
• Addition of Grignard Reagents to Carbamoyl Fluorides
• Allylic Difluoromethylation of Unactivated Alkenes
• Benzylic Trifluoromethylation
• Carbofluorination of Unactivated Alkenes
• Carbofluorothiolation of Alkenes, Alkynes and Aryl Boronic Acids
• Copper-catalyzed Olefinic Trifluoromethylation of Enamides
• Copper-catalyzed Oxidative Trifluoromethylation of Aryl Boronic Acids, Aryl Iodides, Dialkylphosphites, Heteroarenes, Alkenes and Alkynes
• Copper-catalyzed Oxidative Trifluoromethylthiolation of Aryl Boronic Acids and Alkynes
• Copper-catalyzed Three-component Aminofluorination of Alkenes and 1,3-dienes
• Copper-catalyzed Trifluoromethylation of N,N-dialkylhydrazones, N,N-diarylhydrazones and N,N-dibenzylhydrazones
• Decarboxylative Sulfonyl Fluorination of Arenes
• Difluoromethylation of Alcohols, Thiols, Amines, Phenols, Thiophenols, Sulfinic Acids, Alkynes, Vinyl Halides
• Enantioselective Alpha-fluorination of Beta-dicarbonyl Compounds
• Enantioselective Rhodium-catalysed Insertion of Trifluorodiazoethanes into Silicon and Tin Hydrides
• Fluoride-catalyzed Cross-coupling of Carbamoyl Fluorides and Alkynylsilanes
• Heterobenzylic Fluorination and Difluorination
• Hydrodefluorination of Fluorostyrenes
• Hydroxy-perfluoroalkylation of Conjugated Olefins
• Iridium-catalyzed Stereoselective Allylic Alkylation with Fluorobis(phenylsulfonyl)methane
• Mitsunobu Reaction with Fluorobis(phenylsulfonyl)methane
• Monofluoromethylation of Sulfonates
• N-Trifluoroethylation of Anilines
• Nickel-catalyzed Trifluoromethylthiolation of Aryl Iodides
• Nonaflation of Fluorinated Ketones
• O-Trifluoroethylation of Amides
• Opening of Cyclic Sulfamidates, Sulfates and Epoxides with Fluorobis(phenylsulfonyl)methane
• Oxidative Trifluoromethylation of Alkanes and Arenes
• 1,3-dipolar Cycloaddition of Fluorodiazoethanes and Alkenes and Alkynes
• P-Trifluoroethylation of Dialkylphosphites and Diarylphosphine Oxides
• Palladium-catalyzed Ortho-Trifluoromethylation of Arenes
• Palladium-catalyzed Trifluoromethylthiolation of Aryl Bromides
• Photocatalytic Aminodifluoromethylation of Alkenes
• Photocatalytic Bromodifluoromethylation of Alkenes
• Photocatalytic Difluoroalkylation of Uracils
• Photocatalytic Fluorinations
• Photocatalytic Hydrodifluoromethylation of Alkenes
• Photocatalytic Keto-difluoromethylation of Alkanes
• Photocatalytic Oxydifluoromethylation of Alkenes
• Preparation of N-difluoromethylthiophthalimide
• Preparation of N-tosyl-s-difluoromethyl-s-phenylsulfoximine
• Radical Addition of Dihydroquinoxalin-2-ones to Trifluoromethyl Ketones
• Reaction of Trifluoroethanol with Sodium Nitrite
• Regioselective Synthesis of 3-Trifluoromethylpyrroles Via [3+2] Cycloaddition
• Rhodium-catalysed Insertion of Trifluorodiazoethanes into Silicon Hydrides
• Ruthenium-catalyzed Meta C-H Difluoromethylation of Arenes
• S-Trifluoroethylation of Thiols and Thiophenols
• Si-Trifluoroethylation of Silanes
• Siladifluoromethylation of Terminal Alkynes
• Silver-mediated Difluoromethylation of Alkanes, Arenes, Hetereoarenes and Vinyl Trifuloroborates
• Silver-mediated Oxidative Trifluoromethylation of Alcohols to Alkyl Trifluoromethyl Ethers
• Stereoselective Allylic Fluoromethylation of Morita-Baylis-Hillman Carbonates
• Stereoselective Allylic Monofluoromethylation with Fluorobis(phenylsulfonyl)methane
• Stereoselective Alpha-Fluoroalkylation of Enamines
• Stereoselective Alpha-Trifluoromethylation of Enamines
• Stereoselective Michael Addition of Fluorobis(phenylsulfonyl)methane
• Stereoselective Monofluoromethylation
• Stereoselective Radical Oxytrifluoromethylation of Alkenes with Alcohols
• Stereoselective Synthesis of Difluoromethyl Cyclopropanes
• Stereoselective Synthesis of Fluorinated Indolizidinone Derivatives Via Intramolecular Aza-Michael Reaction
• Stereoselective Synthesis of Trifluoromethyl Cyclopropanes
• Stereoselective Trifluoromethylation of Beta-ketoesters, Carbonyl Compounds and Nitroalkanes
• Synthesis of 1-aryl-2,2-difluoroalkenes
• Synthesis of 5-fluoroalkylated Trisubstituted Oxazoles
• Synthesis of Alkylated Polyfluorobenzenes Through Decarboxylative Giese Addition of Aliphatic N-hydroxyphthalimide Esters
• Synthesis of Chiral Tertiary Allylic and Propargylic Fluorides
• Synthesis of Difluoromethyl Cyclopropanes
• Synthesis of Monofluoroalkenes Via Pd-catalyzed Ring-opening of Gem-difluorocyclopropanes with Malonates
• Synthesis of N-trifluoroethylimides
• Synthesis of N-trifluoromethyl Carbamoyl Fluorides
• Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
• Synthesis of Terminal Vinyl Fluorides Via Decarboxylation
• Synthesis of Trifluoromethyl Cyclopropanes
• Three-component Trifluoromethyl Heteroarylation of Vinyl Ethers Under Visible Light Irradiation
• Trifluoromethylation of N,N-dibenzylhydrazones, N-alkyl-N-arylhydrazones, N-morpholinoimines, Nitroalkanes and Terminal Alkenes
• Tsuji-Trost Reaction with Fluorobis(phenylsulfonyl)methane
• Vinylogous Aldol Reaction of Alkylidenepyrazolones with Trifluoromethyl Ketones
• Acridine-Pd-catalyzed Cross-coupling of Aryl Halides with Carboxylic Acids
• Addition of 3,4-dihydroquinoxalin-2-ones to Para-quinone Methides
• Addition of Nitriles to Imines
• Addition to Azirines
• Asymmetric Carbohydroxylation of Alkenes
• Asymmetric Hydraminoxyation of Conjugated Olefins
• Asymmetric Hydration of Conjugated Olefins
• Base-catalyzed One-pot Synthesis of 2,3,6-substituted Pyridines
• C(sp3)-H Amination of Carbonyl Compounds
• Cal-B Catalyzed Aminolysis of Methyl Carboxylates with Propargyl Amines
• Carboazidation of Alkenes, Alkynes
• Carboboration of Unactivated Alkenes
• Carbocyanation of Enamides, Vinyl Esters
• Carboetherification of Enamides
• Carbonitrilation of Alkenes, Alkynes
• Carboxamidation Reaction of 2-indolyl Methanols
• Catalytic C-selective Sulfonylation of Cyclopropanol Derivatives with Sulfonyl Chlorides
• Catalytic Enantioconvergent Allylation of Epoxides
• Chalcogenation of Aryl Alkynoates, N-arylpropynamides
• Chemoenzymatic Synthesis of Pyrrolo[2,1-b]quinazolinones
• Chlorocyclization of Aryl 3-aryl-2-propyn-1-yl Ethers in The Presence of NCS
• Cleavage of Para-methoxyamines
• Coap-Pd Catalyzed Asymmetric Allylic Alkylation of Azlactones with Mbh Carbonates
• Copper-catalyzed Oxidative [3 + 2] Cycloaddition of N-alkyl Pyridinium Salts to Imidazo[1,2-a]pyridines
• Cyanation of Azirines
• Cyclization and Methyl Sulfonylation of Propargylic Amides
• Cyclization of Alpha-amino Ketones to Oxazolidines
• Cyclization of N-arylguanidines
• De-tert-butylation of Phenols
• Dearomatization Silylation of Benzofurans
• Dehydroaromatization of Cyclohexanones with Thiols
• Dehydroaromatization of Indolines with Thiols
• Diastereo- and Enantioselective [3 + 2] Cycloaddition
• Diastereoselective 1,3-cycloaddition of Azomethine Ylide
• Diastereoselective Aldol Condensation
• Diastereoselective Reduction of Terminal Alkene
• Diastereoselective Reductive Amination
• Double Mannich Reaction
• Enantioselective Amino-cyanation of Alkenes
• Enantioselective Carboxamidation of 2-indolyl Methanols
• Enantioselective Oxy-cyanation of Alkenes
• Enantioselective Synthesis of 2,3-dihydrofurans
• Enantioselective Synthesis of Beta-amino Alcohols
• Enantioselective Synthesis of Indolizidinone Derivatives
• Enzymatic Regioselective Michael Addition of Purine Derivatives to Alpha, Beta-unsaturated Carbonyl Compounds
• Halosulfonylation of Propellanes
• Hydroalkoxylation of Alcohols
• Light-induced Addition of Primary Alkyl Bromides to Quinoxalinones
• Metal Catalyzed N-H Bond Insertion
• NHC-catalyzed Chemoselective Synthesis of Chiral Dihydropyranone Derivatives
• Ni-catalyzed 1,2-dicarbofunctionalization of Alkenes
• Nucleophilic Allylation of Acyl Silanes in Water
• One-pot Synthesis of Piperazin-2-ones and Morpholin-2-ones
• One-pot Synthesis of Sulfonamides via Aromatic Decarboxylative Halosulfonylation
• One-pot Synthetsis of 3-carboxyl- and 3-ketopyridines
• Oxidation of Sulfinamic Esters to Sulfamates
• Oxidation of Sulfites to Sulfates
• Oxidative Cleavage of Phenol by Can
• Oxidative Condensation of Chalcones
• Oxyalkylidenation of Alkynyl Ketone Enolates with Aldehydes
• 1,4-oxyimination of Olefins
• [8 + 2]-cycloaddition with 8,8-Dicyanoheptafulvene
• Palladium-catalyzed Annulation of 1-Benzylpyrazoles with Alkynes
• Pd(0) blue Light-catalyzed Carboiodination Reaction
• Pd(II)-catalyzed Annulation of Ortho-aminobenzoic Acids
• Pd-catalyzed Cascade Cyclization
• Pd-catalyzed Tandem C-H Insertion Cyclization of 2-(2-vinylarene)acetonitriles
• Penicyllin G Acylase-catalyzed Reaction
• Photocatalytic Addition of Haloalkanes to Unactivated Alkenes and Alkynes
• Photocatalytic C(sp3)-H Functionalization
• Photocatalytic Ritter Amidation
• Photocatalytic Synthesis of Sulfonamides from Carboxylic Acids
• Reduction of Azirines
• Regioselective Synthesis of 1,2,4-triazole-fused N-heterocycles via Double Dehydrative Cyclization
• Remote Enantioselective [4 + 1] Annulation
• Rh-catalyzed [2,3]-sigmatropic Rearrangement of Alkynyl Carbenes with Allyl Sulfides
• Rh-catalyzed [4 + 1] Reaction of Cyclopropyl Derivatives and Carbon Monoxide
• Rhodium(III)-catalyzed Anti-Markovnikov Hydroamidation of Unactivated Alkenes Using Dioxazolones
• Ru and Pd-catalyzed One-pot C-H Diarylation of Heterocycles
• Stereoselective 1,3-cycloaddition of Azomethine Ylide
• Stereoselective Addition to Azirines
• Stereoselective Alkylation of Lactones
• Stereoselective Allylation of Aldehydes
• Stereoselective Cyanation of Azirines
• Stereoselective Grignard Reaction
• Stereoselective Reduction of Azirines
• Stereoselective Synthesis of Bicyclic Lactones
• Stereoselective Synthesis of Borylated Carbocycles
• Stereoselective Synthesis of Spiro-decalin Oxindole Derivatives via Organocatalytic Michael-domino Michael Aldol Reaction
• Sulfination of Alcohols and Bromides
• Synthiesis of 2,4,5-substituted Pyrimidine Derivatives
• Synthesis Carbo- and Heterocyclic Benz[a]azulenes
• Synthesis of 1,2-fused Benzimidazoles via [3 + 3] Annulation
• Synthesis of 2,4,6-trisubstituted Pyrimidines Through Copper-catalyzed [4 + 2] Annulation of Alpha, Beta-unsaturated Ketoximes with Activated Nitriles
• Synthesis of 3,3-dicarbo-funcationalized Azetidines
• Synthesis of 3-aminoquinolines
• Synthesis of Alpha-CF2Cl Styrenes via Dehydrazinative Hydrogenation
• Synthesis of Alpha-CF2H Styrenes via Dehydrazinative Hydrogenation
• Synthesis of Amides via Selective C-C Bond Cleavage
• Synthesis of Bicyclo[3.1.1]heptanes
• Synthesis of Carbamates, Thiocarbamates and Ureas
• Synthesis of Chiral Cyclobutenes via Isomerization of Bicyclo[1.1.0]butanes
• Synthesis of Cyanates
• Synthesis of Cyclic Sulfinamic Esters
• Synthesis of Cyclic Sulfites
• Synthesis of Cyclopropyl Derivatives
• Synthesis of Disubstituted Allylic Amines
• Synthesis of Functionalized Naphthalenes via C-C Bond Forming Cascade
• Synthesis of Imidazolidones by Selective C-N Cyclization
• Synthesis of Lactam-derived Quinolines
• Synthesis of Ondeno[2,1-c]chromen-6(7h)-ones via Acid-mediated Cascade Cyclization
• Synthesis of Oxazoles by Selective C-O Cyclization
• Synthesis of Pararosanilines
• Synthesis of Phenanthridine Derivatives
• Synthesis of Substituted of Benzo[4,5]imidazo[1,2-a]pyrimidines via [3 + 2 + 1] Cyclization
• Synthesis of Terminal Enamides
• Synthesis of Thiocyanates
• Synthesis of Umemoto Reagent
• Synthesis of Unsaturated Lactams via Copper-catalyzed [4 + 1] Annulation Reaction
• Synthesis of Urea Derivatives via Selective C-C Bond Cleavage
• Synthesis of Ureas
• Tandem Alkyl Heck-Tsuji-Trost Homologative Amination
• Tandem Sn2 Nucleophilic Substitution phospho-dieckmann Reaction
• Three-component Synthesis of Disubstituted Nicotinonitriles
• Three-component Synthesis of Pyridylacetic Acid Derivatives via Arylation and Decarboxylative Substitution of Meldrum's Acids
• Visible-light-mediated Three-component Synthesis of 1,4-diol Monoethers via Decarboxylative Coupling
• Visible Light-induced Intramolecular Tandem Cyclization of Unactivated Indoloalkynes
• Wittig Rearrangement of Butylbenzamides
• Wittig Rearrangement of Ortho-substituted Benzamides
  
  

Version 23.3 of SYNTHIA™ has been tested with Chrome versions 119.0.6045.199 and 119.0.6045.200, Microsoft Edge versions 119.0.2151.72, 119.0.2151.93 and 119.0.2151.97 on Windows 10 Enterprise, and Mac OS Ventura 13.6.1 and Sonoma 14.1.1.