Release 25.1 - May 2025

We are excited to introduce several significant enhancements in our latest release, designed to enhance user experience and functionality.

We have introduced a new PDF report that offers a comprehensive overview of your pathways. The report includes the disconnection summary and reaction scheme for your pathway, detailed information on each reaction, and a list of starting materials.

Synthia now features additional specialized machine-extracted rule databases with new rule sets for boron, phosphorus, and silicon chemistry, which you can select as needed in your analyses. This update also introduces customized machine-extracted rules for steroid and sugar chemistry.

Molecular weights are now displayed on each molecule tile in the Diversity Library analysis results. This enhancement allows for more efficient data interpretation and result comparison.

1400 new expert rules have been added, including rules for:

• Acid-catalyzed cyclization of terpene derivatives.
• Acid-promoted synthesis of 4,5-diaminopyrazoles.
• Alkylation of bisboronates.
• Alkyne homometathesis reaction.
• Amination of bromanil.
• Aryne Diels-Alder reaction.
• Aryne Diels-Alder reaction followed by alcohol deprotection.
• Asymmetric hydrogenation of 4-oxo-2-alkenoic acids.
• Asymmetric nitroso aldol reaction of dialdehydes.
• Asymmetric nitroso aldol reaction of dialdehydes followed by the cleavage of N-O bond.
• Asymmetric radical azidation via copper-amine cooperative catalysis.
• Asymmetric radical azidation via copper-amine cooperative catalysis followed by exhaustive reduction with LiAlH4.
• Asymmetric radical azidation via copper amine cooperative catalysis.
• Asymmetric radical cyclopropanation of alpha,beta-unsaturated amides via chromium-based metalloradical catalysis.
• Asymmetric radical cyclopropanation of alpha,beta-unsaturated amides via chromium-based metalloradical catalysis followed by oxidation of boronate.
• Bronsted acid-catalyzed stereoselective synthesis of (z)-1,3-butadienyl-2-carbinols.
• Catalytic cycloallylation of enones.
• Catalytic ipso-nitration of (hetero)arylboronic acids.
• Cobalt-catalyzed electrophilic amination of organozinc reagents.
• Cobalt-catalyzed stereoselective remote hydroboration of alkenylboronates.
• Cobalt-catalyzed stereoselective remote hydroboration of alkenylboronates followed by oxidation of boronate.
• Cobalt-catalyzed stereoselective remote hydroboration of alkenylboronates followed by site-selective oxidation of secondary boronates.
• Cobalt-mediated stereoselective halocyclization reaction.
• Condensantion of arylacetonitriles with terachlorocyclopropene.
• Conia-ene-type cyclization of alkynyl ketones.
• Copper-catalyzed alkylboration of 1,1-disubstituted cyclopropenes.
• Copper-catalyzed alkylboration of 1,1-disubstituted cyclopropenes followed by alkyl chain extension with dibromomethane.
• Copper-catalyzed alkylboration of 1,1-disubstituted cyclopropenes followed by alkyl chain extension with dibromomethane and subsequent oxidation.
• Copper-catalyzed alkylboration of 1,1-disubstituted cyclopropenes followed by oxidation of boronates.
• Copper-catalyzed arylcarbocyclization of alkynes with diaryliodonium salts.
• Copper-catalyzed stereoselective addition of alkylbisboronates to aldehydes.
• Copper-catalyzed stereoselective addition of alkylbisboronates to aldehydes followed by oxidation of boronate.
• Copper-catalyzed stereoselective C-H benzylation of glycine derivatives followed by deprotection.
• Copper-catalyzed stereoselective hydroacylation of alkoxyallenes.
• Copper-catalyzed stereoselective hydroacylation of alkoxyallenes followed by deprotection.
• Copper-catalyzed stereoselective hydroacylation of alkoxyallenes followed by stereoselective reduction and deprotection.
• Copper-catalyzed stereoselective propargylation of beta,gamma-unsaturated alpha-ketoesters.
• Copper-catalyzed stereoselectiv.e reductive amidation of alpha,beta-unsaturated carboxylic acids
• Copper-catalyzed synthesis of arylpropynes from tosylhydrazones and calcium carbide.
• Copper-catalyzed synthesis of fluoroalkylated isoxazoles.
• Coupling of protected allenyl amines with aryl iodides.
• Cross-coupling of geminal dibromoalkenes with aryl halides.
• Cross metathesis.
• Crystallization-induced dynamic resolution of diastereoisomers.
• Cycloisomerization of allenes to 2,3-dihydropyrroles.
• Cycloisomerization of allenes to delta-3-pyrrolidines.
• Cycloisomerization of allenes to delta-3-pyrrolidines followed by deprotection.
• Cycloisomerization of functionalized 1,5 and 1,6-dienes.
• Cycloisomerization of functionalized dienes.
• Dearomative addition of Grignard reagents to 4-methoxypyridines.
• Desymmetrization of 3-cyclopenten-1-ol via asymmetric Heck-Matsuda reaction.
• Desymmetrization of cyclic 1,4-allyldiboronates via palladium-catalyzed stereoselective cross-coupling.
• Desymmetrization of cyclic 1,4-allyldiboronates via palladium-catalyzed stereoselective cross-coupling followed by oxidation of pinacolboranes to alcohols.
• Desymmetrization of cyclopenetenes via asymmetric oxidative Heck reaction.
• Desymmetrization of cyclopenten-1,4-diols via rhodium-catalyzed asymmetric allylic substitution with arylboronic acids.
• Desymmetrization of cyclopenten-1,4-diols via rhodium-catalyzed asymmetric allylic substitution with arylboronic acids followed by hydrolysis of carbonate.
• Desymmetrization of meso-dibromocycloalkenes via asymmetric allylic substitution followed by rearrangement of cycloheptenes to cyclohexenes.
• Desymmetrization of meso-dibromocycloalkenes via asymmetric allylic substitution with organolithium reagents.
• Diastereoselective iodo-aldol cyclization reaction.
• Direct alpha-benzoyloxylation of aldehydes.
• Direct alpha-benzoyloxylation of aldehydes followed by exhaustive reduction.
• Direct stereoselective alpha-benzoyloxylation of aldehydes.
• Direct stereoselective alpha-benzoyloxylation of aldehydes followed by exhaustive reduction.
• Direct stereoselective beta-alkylation of alcohols by redox enamine relay catalysis.
• Direct stereoselective beta-alkylation of alcohols by redox enamine relay catalysis followed by reduction of nitro group.
• Enzyme-catalyzed transamination reaction.
• Gadolinium-catalyzed isomerization of enynes.
• Gold-catalyzed cyclization reaction.
• Gold-catalyzed cycloisomerization of 1,5-enynes.
• Gold-catalyzed oxidative rearrangement of propargyl alcohols.
• Gold-catalyzed ring expansion of alkynylcyclopropanols.
• Gold-catalyzed stereoselective cycloisomerization of 1,5-enynes.
• Halogenative semipinacol rearrangement.
• Hypervalent iodine-mediated chemoselective iodination of alkynes.
• Iodine-mediated synthesis of indolo-fused pyrazolo[1,5-a]pyrimidines.
• Iridium-catalyzed allylic C-H borylation.
• Iridium-catalyzed asymmetric allylic alkylation of boron enolates.
• Iridium-catalyzed cycloisomerization of 1,6-enynes.
• Iridium-catalyzed isomerisation of allyl ethers.
• Iridium-catalyzed stereoconvergent synthesis of protected allenylic amines.
• Iridium-catalyzed stereoconvergent synthesis of protected allenylic amines followed by deprotection.
• Iridium-catalyzed stereoselective allylation of silyl enol ethers with allylic alcohols.
• Iridium-catalyzed stereoselective allylic substitution.
• Iridium-catalyzed stereoselective alpha-allylation of acetaldehyde.
• Iridium-catalyzed stereoselective alpha-allylation of acetaldehyde followed by alpha-chlorination.
• Iridium-catalyzed stereoselective alpha-allylation of acetaldehyde followed by alpha-fluorination.
• Iridium-catalyzed stereoselective reductive deoxygenation of racemic tertiary alcohols.
• Iridium-catalyzed vinyl C-H borylation.
• Isomerization of acetoxy bicyclo[3.1.0]hexenes.
• Knoevenagel condensation of aldehydes with isoxazol-5-ones.
• Lewis acid-promoted (3+2) cycloaddition reaction.
• Lewis acid-promoted (4+3) cycloaddition reaction.
• Lewis acid-promoted Dieckmann cyclization reaction.
• Methanolysis reaction.
• Mitsunobu reaction.
• Multicomponent synthesis of isoxazol-5-one derivative.s
• NHC-catalyzed asymmetric synthesis of disubstituted cyclopentenes via desymmetrization of 1,3-diketones.
• NHC-catalyzed cyclization reaction.
• Nickel-catalyzed asymmetric homobenzylic hydroamidation of aryl alkenes.
• Nickel-catalyzed asymmetric homobenzylic hydroamidation of aryl alkenes followed by amide hydrolysis.
• Nucleophilic substitution of alkyl chlorides with Grignard reagents.
• One-pot catalytic C-H borylation, C-C coupling reaction.
• One-pot catalytic C-H borylation C-C coupling reaction.
• Organocatalytic synthesis of alkynes.
• Oxidation of conjugated aromatic systems.
• Oxidation of N-substituted-2,3-dehydro-4-piperidones.
• Oxidative decarbonylative [3+2] annulation of terminal alkynes with tertiary aldehydes.
• Palladium-catalyzed asymmetric allylic cycloaddition of vinyloxetanes with formaldehyde.
• Palladium-catalyzed asymmetric allylic cycloaddition of vinyloxetanes with formaldehyde followed by hydrolysis.
• Palladium-catalyzed coupling of aryl iodides with malononitrile.
• Palladium-catalyzed synthesis of alkynes via tandem decarboxylation elimination of enol triflates.
• Partial reduction of heteroaromatic compounds followed by reaction with electrophile.
• Partial reduction of pyrazolo[1,5-a]pyrimidines.
• Photocatalytic arylative ring expansion reaction.
• Photocatalyzed borylcyclopropanation of terminal alkenes.
• Photocatalyzed borylcyclopropanation of terminal alkenes followed by oxidation of boronates.
• Platinum-catalyzed cycloisomerization reaction.
• Preparation of 2-(trichloromethoxy)phenyl isocyanate.
• Preparation of 2-(trifluoromethoxy)aniline.
• Preparation of 4-(cyanomethyl)-2,3,5,6-tetrafluorobenzonitrile.
• Preparation of n-nitrosaccharin.
• Preparation of n-nitrosuccinimide.
• Preparation of pentachlorocyclopropane.
• Preparation of rhodanine derivatives.
• Preparation of terachlorocyclopropene.
• Reaction of barbituric acids with electrophiles.
• Reaction of Meldrum acids with electrophiles.
• Reduction of 4-methoxypyridines.
• Rhodium-catalyzed alkene isomerization allyl Claisen rearrangement intramolecular hydroacylation cascade reaction.
• Rhodium-catalyzed asymmetric hydroformylation of trisubstituted alkenes.
• Rhodium-catalyzed asymmetric hydrogenation of vinyl formates.
• Rhodium-catalyzed asymmetric hydrogenation of vinyl formates followed by ester hydrolysis.
• Rhodium-catalyzed intramolecular C-H insertion of alpha-diazo ketones.
• Rhodium-catalyzed stereoselectiveallylic arylation of racemic allylic carbonates with arylboronic acids.
• Ruthenium-catalyzed hydrative cyclization of 1,5-enynes.
• Ruthenium-catalyzed ring expansion of alkynylcyclopropanols.
• Stereoselective catalytic conjugate addition of dialkylzinc reagents to n-substituted-2,3-dehydro-4-piperidones.
• Stereoselective catalytic dearomative addition of Grignard reagents to 4-methoxypyridines.
• Stereoselective catalytic dearomative addition of Grignard reagents to 4-methoxypyridines followed by deprotection.
• Stereoselective Conia-ene-type cyclization of alkynyl ketones.
• Stereoselective desymmetrization of 1-ethynylcyclobutanols via asymmetric cooperative gold catalysis.
• Stereoselective intramolecular stetter reaction.
• Stereoselective Mizoroki-Heck reaction.
• Stereoselective Mizoroki-Heck reaction followed by deprotection of amine.
• Stereoselective oxidation of N-substituted-2,3-dehydro-4-piperidones.
• Stereoselective reduction of alkenes.
• Stereoselective synthesis of cis-1,3,4-trisubstituted cyclopentenes via NHC lewis acid cooperative catalysis.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by halogenation.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by halogenation and oxidation.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by oxidative Heck coupling.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by oxidative Heck coupling and oxidation of boronate.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by Suzuki coupling.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by Suzuki coupling and oxidation of boronate.
• Stereoselective synthesis of cyclic boronates via a dienylboronate protoboration asymmetric allylation reaction sequence followed by Suzuki coupling with aryl iodides.
• Stereoselective Wagner-Meerwein rearrangement.
• Sulfuryl difluoride-mediated synthesis of alkynes from alcohols.
• Suzuki coupling of cyclic boronates with aryl iodides.
• Synthesis of 1,2-diols via tandem Wittig rearrangement aldol reaction.
• Synthesis of 1,3-enynes by iron-catalyzed propargylic C-H functionalization.
• Synthesis of 2-substituted piperazines via decarboxylative photoredox cyclization.
• Synthesis of 3,4-disubstitued azetines via lithiation functionalization sequence.
• Synthesis of 3,4-disubstitued azetines via lithiation transmetallation cross-coupling sequence.
• Synthesis of 3-substitued 3-hydroxyazetines.
• Synthesis of alkenes from vicinal dibromides.
• Synthesis of alkenylboronates from alkenes and pinacol diboron via copper catalysis.
• Synthesis of alkynes from cyanophosphate derivatives.
• Synthesis of alkynes from vinyl bromides.
• Synthesis of alkynes from vinyl sulfones.
• Synthesis of alkynes via debromination of vicinal dibromoalkenes.
• Synthesis of arylcycloalkenes.
• Synthesis of azetidines via magnesium-mediated ring expansion of donor-acceptor cyclopropanes.
• Synthesis of azetidines via magnesium-mediated ring expansion of donor-acceptor cyclopropanes followed by detosylation.
• Synthesis of benzoxazoles through cyclization reaction.
• Synthesis of beta-sultams via base-free sufex reaction promoted by silica gel.
• Synthesis of bisbenzothiazoles.
• Synthesis of bisbenzoxazoles.
• Synthesis of chiral 2,3-dihydrofurans via palladium-catalyzed asymmetric allylic substitution cascade.
• Synthesis of chiral 2,3-dihydrofurans via palladium-catalyzed asymmetric allylic substitution cascade followed by stereoselective reduction.
• Synthesis of chiral pyrrolidines via 1,3-dipolar cycloaddition.
• Synthesis of chiral pyrrolidines via 1,3-dipolar cycloaddition followed by ester hydrolysis.
• Synthesis of cyanophosphates from aldehydes and ketones.
• Synthesis of cyclobutanones via rearrangement of intermediate oxaspiropentanes.
• Synthesis of cyclopentanones via ring expansion of cyclobutanones with trimethylsilyldiazomethane.
• Synthesis of cyclopropenones.
• Synthesis of dialkyl cyanophosphonates.
• Synthesis of enol triflates from beta-ketoesters.
• Synthesis of ethynyl esters from allenyl acetates.
• Synthesis of functionalized cyclopentenes via asymmetric [3+2] cycloadditions of allenes with enones.
• Synthesis of functionalized cyclopentenols via claisen rearrangement sakurai reaction sequence.
• Synthesis of hydrazonoyl chlorides.
• Synthesis of isoxazol-5-one derivatives via gold-catalyzed cyclization isomerization cascade.
• Synthesis of isoxazolines.
• Synthesis of pyrazoles from hydrazonoyl chlorides.
• Synthesis of pyrazolo[1,5-a]pyrimidines via condensation of aminopyrazoles and enaminones.
• Synthesis of substituted triazolinones.
• Synthesis of sulfonyl isocyanates from sulfonamides.
• Synthesis of sulfonylaminocarbonyl compounds.
• Synthesis of taurolidine via base catalyzed cyclization.
• Synthesis of thioglycosides via isothiouronium salts.
• Synthesis of thioglycosides via reduction of isothiouronium salts.
• Synthesis of thiohydantoins via condensation of isothiocyanate and amino esters.
• Synthesis of vinyl formates via Baeyer-Villiger oxidation.
• Synthesis of vinyl halides from (z)-6(prime)-boryl-anti-1,2-oxaborinan-3-enes.
• Transition metal-catalyzed stereoselective intramolecular addition of tosylureas to allenes.
• Transition metal-catalyzed stereoselective intramolecular addition of tosylureas to allenes followed by detosylation.
• Transition metal-catalyzed stereoselective intramolecular addition of tosylureas to allenes followed by detosylation and hydrolysis.
• Tsuji-Trost amination of allyl acetates.
• Visible-light-accelerated copper-catalyzed [3+2] cycloaddition.
• Visible-light-accelerated copper-catalyzed [3+2] cycloaddition followed by detosylation.
• Zinc-catalyzed stereoselective allenylation of beta,gamma-unsaturated alpha-ketoesters.

Version 25.1 of SYNTHIA™ has been tested with Chrome versions 135.0.7049.115 and 135.0.7049.116 on Windows 10 Enterprise, Windows 11 Enterprise, and Mac OS Sequoia 15.4.1.