500 Organic Reactions ChemAxon Reaction Library - where?

User 677b9c22ff

04-07-2007 08:00:13

Hi,


where can I find the large reaction library from the ChemAxon Website?


Or do you have somewhere a large library of the most important organic reactions from Wikipedia


or Merck or Organic Synthesis or so? I am not an organic chemist but maybe there is such a thing? A *.mrv file, somwhere?


Or do you have any (hundreds) of reactions from the handbook of enzymatic reactions?





Is there anybody in the forum who has such a list? Maybe?





Thanks in advance


Tobias





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List of Name reactions in german and english from WIKI





Abramovitch-Shapiro tryptamine synthesis


Acetoacetic ester condensation


Acyloin condensation


Acyloin-Kondensation


Acyloin-Kondensation


Adams catalyst


Adkins catalyst


Adkins-Peterson reaction


Akabori amino acid reaction


Alder ene reaction


Alder-Stein rules


Aldol addition


Aldol condensation


Aldol-Reaktion


Algar-Flynn-Oyamada reaction


Alkenmetathese


Allan-Robinson reaction


Allylic rearrangement


Amadori rearrangement


Andrussov oxidation


Appel reaction


Arbuzov reaction, Arbusow reaction


Arbuzov-Reaktion


Arens-van Dorp synthesis, Isler modification


Arndt-Eistert synthesis


Arndt-Eistert-Homologisierung


Auwers synthesis


Azo coupling


Azokupplung


Baeyer-Drewson indigo synthesis


Baeyer-Villiger oxidation


Baeyer-Villiger rearrangement


Baeyer-Villiger-Oxidation


Bakeland process (Bakelite)


Baker-Venkataraman rearrangement


Baker-Venkataraman transformation


Bally-Scholl synthesis


Balz-Schiemann reaction


Bamberger rearrangement


Bamberger triazine synthesis


Bamberger-Umlagerung


Bamford-Stevens reaction


Bamford-Stevens-Reaktion


Barbier-Wieland degradation


Bardhan-Senguph phenanthrene synthesis


Bartoli indole synthesis


Bartoli reaction


Barton reaction


Barton-Desoxygenierung


Barton-McCombie reaction, Barton deoxygenation


Baudisch reaction


Bayer test


Baylis-Hilman reaction


Bechamp reaction


Beckmann rearrangement


Beckmann-Umlagerung


Bellus-Claisen rearrangement


Belousov-Zhabotinsky reaction


Belousov-Zhabotinsky-Reaktion


Benary reaction


Benzidin-Umlagerung


Benzidine rearrangement


Benzilic acid rearrangement


Benzilsäure-Umlagerung


Benzoin condensation


Benzoin-Kondensation


Bergman cyclization


Bergmann azlactone peptide synthesis


Bergmann degradation


Bergmann-Cyclisierung


Bergmann-Zervas carbobenzoxy method


Bernthsen acridine synthesis


Bestmann's reagent


Betti reaction


Biginelli pyrimidine synthesis


Biginelli reaction


Birch reduction


Birch-Reduktion


Bischler-Möhlau indole synthesis


Bischler-Möhlau-Indolsynthese


Bischler-Möhlau-Indolsynthese [1]


Bischler-Napieralski reaction


Blaise ketone synthesis


Blaise reaction


Blanc chloromethylation


Blanc reaction


Blanc-Reaktion


Bodroux reaction


Bodroux-Chichibabin aldehyde synthesis


Boekelheide-Umlagerung


Bogert-Cook synthesis


Bohn-Schmidt reaction


Boord olefin synthesis


Borodin reaction


Borsche-Drechsel cyclization


Bosch-Meiser urea process


Bouveault aldehyde synthesis


Bouveault-Blanc reduction


Bouveault-Blanc-Reaktion


Boyer Reaction


Boyland-Sims oxidation


Bray-Liebhafsky-Reaktion


Bredt's rule


Brellochs-Reaktion


Briggs-Rauscher-Reaktion


Brown hydroboration


Bucherer carbazole synthesis


Bucherer reaction


Bucherer-Bergs reaction


Bucherer-Reaktion


Buchner ring enlargement


Buchner-Curtius-Schlotterbeck reaction


Buchwald-Hartwig amination


Buchwald-Hartwig-Kupplung


Bunnett reaction


CBS reduction


Cadiot-Chodkiewicz coupling


Camps quinoline synthesis


Cannizzaro reaction


Cannizzaro-Reaktion


Carroll reaction


Catalytic reforming


Chan-Lam coupling


Chapman rearrangement


Chichibabin pyridine synthesis


Chichibabin reaction


Chromotropsäure-Reaktion


Chugaev elimination


Chugaev-Reaktion


Ciamician-Dennstedt rearrangement


Claisen condensation


Claisen rearrangement


Claisen-Kondensation


Claisen-Schmidt condensation


Claisen-Umlagerung


Clemmensen reduction


Clemmensen-Reduktion


Collins-Reagent


Combes quinoline synthesis


Conia reaction


Conrad-Limpach synthesis


Cope elimination


Cope rearrangement


Cope-Eliminierung


Cope-Umlagerung


Corey reagent


Corey-Bakshi-Shibata reduction


Corey-Fuchs reaction


Corey-Kim oxidation


Corey-Posner, Whitesides-House reaction


Corey-Seebach-Reaktion


Corey-Suggs-Oxidation


Corey-Winter olefin synthesis


Corey-Winter reaction


Corey-Winter-Fragmentierung


Coupling reaction


Craig method


Cram's rule of asymmetric induction


Creighton process


Criegee reaction


Criegee rearrangement


Criegee-Ozonolyse


Cross metathesis


Crum Brown-Gibson rule


Curtius degradation


Curtius rearrangement, Curtius reaction


Curtius-Reaktion


Dakin reaction


Dakin-West reaction


Darapsky degradation


Darzens condensation, Darzens-Claisen reaction, Glycidic ester condensation


Darzens synthesis of unsaturated ketones


Darzens tetralin synthesis


Darzens-Glycidester-Kondensation


Delepine reaction


Delépine-Reaktion


Demjanov rearrangement


Demjanow desamination


Dess-Martin oxidation


Di-pi-methane rearrangement


Diazotisation


Dieckmann condensation


Dieckmann reaction


Dieckmann-Kondensation


Diels Reese reaction


Diels-Alder reaction


Diels-Alder-Reaktion


Dienol benzene rearrangement


Dienone phenol rearrangement


Dimroth rearrangement


Directed ortho metalation


Doebner modification


Doebner-Miller reaction, Beyer method for quinolines


Doering-LaFlamme carbon chain extension


Dowd-Beckwith ring expansion reaction


Duff reaction


Dutt-Wormall reaction


Dötz reaction


Dötz-Reaktion


E1cB elimination reaction


Eder reaction


Eder-Sauer-Wiechert-Reaktion


Edman degradation


Egling coupling


Eglinton reaction


Ehrlich-Sachs reaction


Einhorn variant


Einhorn-Brunner reaction


Elbs persulfate oxidation


Elbs reaction


Elbs-Reaktion


Elimination reaction


Eltekoff reaction


Emde degradation


Emmert reaction


Ene reaction


Epoxidation


Erlenmeyer synthesis, Azlactone synthesis


Erlenmeyer-Plochl azlactone and amino acid synthesis


Eschenmoser fragmentation


Eschweiler-Clarke reaction


Eschweiler-Clarke-Methylierung


Ester pyrolysis


Evans aldol


Étard reaction


Favorskii reaction


Favorskii rearrangement


Favorskii-Babayan synthesis


Favorskii-Umlagerung


Feist-Benary synthesis


Fenton reaction


Ferrario reaction


Ferrier rearrangement


Finkelstein reaction


Fischer Tropsch synthesis


Fischer glycosidation


Fischer indole synthesis


Fischer oxazole synthesis


Fischer peptide synthesis


Fischer phenylhydrazine and oxazone reaction


Fischer reduction


Fischer-Hepp rearrangement


Fischer-Speier esterification


Fischersche Indolsynthese


Flood reaction


Forster reaction


Forster-Decker method


Franchimont reaction


Frankland synthesis


Frankland-Duppa reaction


Freund reaction


Friedel-Crafts Acylation


Friedel-Crafts Alkylation


Friedel-Crafts-Acylierung


Friedel-Crafts-Alkylierung


Friedländer synthesis


Fries rearrangement


Fries-Umlagerung


Fritsch-Buttenberg-Wiechell rearrangement


Fujimoto-Belleau reaction


Fukuyama coupling


Fukuyama-Indolsynthese


Fürstner-Indolsynthese


Gabriel ethylenimine method


Gabriel synthesis


Gabriel-Colman rearrangement, Gabriel isoquinoline synthesis


Gabriel-Synthese


Gallagher-Hollander degradation


Gassman indole synthesis


Gastaldi synthesis


Gattermann Koch reaction


Gattermann aldehyde synthesis


Gattermann reaction


Gattermann-Koch-Synthese


Gattermann-Synthese


Gewald reaction


Gibbs phthalic anhydride process


Gilman reagent


Glaser coupling


Glycol cleavage


Gogte synthesis


Gomberg-Bachmann reaction


Gomberg-Bachmann-Hey reaction


Gomberg-Free radical reaction


Gould-Jacobs reaction


Graebe-Ullmann synthesis


Grignard degradation


Grignard reaction


Grignard-Reaktion


Grob fragmentation


Grubbs' catalyst in Olefin metathesis


Grundmann aldehyde synthesis


Gryszkiewicz-Trochimowski and McCombie method


Guareschi-Thorpe condensation


Guerbet reaction


Gutknecht pyrazine synthesis


Haller-Bauer reaction


Haloform reaction


Haloform-Reaktion


Hammett equation


Hammick reaction


Hammond-Principle or Hammond postulate


Hantzch pyrrole synthesis


Hantzsch Pyridine synthesis, Gattermann-Skita synthesis, Guareschi-Thorpe condensation, Knoevenagel-Fries modification


Hantzsch dihydropyridine synthesis, Hantzsch pyridine synthesis


Hantzsch-Collidin-synthesis


Hantzsch-Dihydropyridinsynthese


Harber-Weiss reaction


Harries Ozonide reaction


Haworth Methylation


Haworth Phenanthrene synthesis


Haworth-reaction


Hay coupling


Hayashi rearrangement


Heck reaction


Heck-Reaktion


Hegedus-Indolsynthese


Helferich method


Hell-Volhard-Zelinsky halogenation


Hell-Volhard-Zelinsky-Reaktion


Hemetsberger indole synthesis


Henkel reaction, Raecke process, Henkel process


Henry reaction, Kamlet reaction


Herz reaction, Herz compounds


Herzig-Meyer alkimide group determination


Heumann indigo synthesis


Hinsberg indole synthesis


Hinsberg reaction


Hinsberg separation


Hinsberg sulfone synthesis


Hoch-Campbell ethylenimine synthesis


Hocksche Phenol-Synthese


Hofmann Elimination


Hofmann Isonitrile synthesis, Carbylamine reaction


Hofmann degradation, Exhaustive methylation


Hofmann produkt


Hofmann rearrangement


Hofmann's Rule


Hofmann-Abbau


Hofmann-Eliminierung


Hofmann-Löffler reaction, Löffler-Freytag reaction, Hofmann-Löffler-Freytag reaction


Hofmann-Martius rearrangement


Hofmann-Sand reaction


Homo rearrangement of steroids


Hooker reaction


Horner-Wadsworth-Emmons reaction


Horner-Wadsworth-Emmons-Reaktion


Hosomi-Sakurai reaction


Houben-Fischer synthesis


Hunsdiecker reaction


Hunsdiecker-Reaktion


Hurd-Mori-Reaktion


Hydroboration


Hösch reaction


Ing-Manske procedure


Ipatieff reaction


Ipso substitution


Ivanov reagent, Ivanov reaction


Iwanow-Reaktion


Jacobsen rearrangement


Janovsky reaction


Japp-Klingemann reaction


Japp-Klingemann-Reaktion


Japp-Maitland condensation


Jensen-Reaktion


Jones oxidation


Jordan-Ullmann-Goldberg synthesis


Julia olefination


Julia-Lythgoe olefination


Kabachnik-Fields reaction


Kendall-Mattox reaction


Ketonsynthese nach Gilman und Van Ess


Kiliani-Fischer synthesis


Kindler reaction


Kishner cyclopropane synthesis


Knoevenagel condensation


Knoevenagel-Reaktion


Knoop-Oesterlin amino acid synthesis


Knorr pyrazole synthesis


Knorr pyrrole synthesis


Knorr quinoline synthesis


Koch-Haaf reaction


Kochi reaction


Kochi-Reaktion


Koenigs-Knorr reaction


Kolbe electrolysis


Kolbe-Elektrolyse


Kolbe-Nitrilsynthese


Kolbe-Schmitt reaction


Kolbe-Schmitt-Reaktion


Kondakov rule


Kontanecki acylation


Kornblum oxidation


Kornblum-Oxidation


Krafft degradation


Kröhnke aldehyde synthesis


Kröhnke oxidation


Kröhnke pyridine synthesis


Kucherov reaction


Kuhn-Winterstein reaction


Kulinkovich reaction


Kumada coupling


Larock indole synthesis


Lebedev process


Lehmstedt-Tanasescu reaction


Leimgruber-Batcho indole synthesis


Letts Nitril Synthese


Letts nitrile synthesis


Leuckart reaction


Leuckart thiophenol reaction


Leuckart-Wallach reaction


Leuckart-Wallach-Reaktion


Leuckert amide synthesis


Levinstein process


Lieben iodoform reaction, Haloform reaction


Liebermann-Burchard-Reaktion


Lindlar catalyst


Lobry-de Bruyn-van Ekenstein transformation


Lossen rearrangement


Luche reduction


Madelung synthesis


Maillard-Reaktion


Malaprade reaction, Periodic acid oxidation


Malonic ester synthesis


Mannich reaction


Mannich-Reaktion


Markovnikov's rule, Markownikoff rule, Markownikow rule


Martinet dioxindole synthesis


McFadyen-Stevens reaction


McLafferty rearrangement


McMurry reaction


McMurry-Reaktion


Meerwein arylation


Meerwein-Ponndorf-Verley reduction


Meerwein-Ponndorf-Verley-Reduktion


Meerwein-Reduktion


Meisenheimer rearrangement


Meissenheimer complex


Menschutkin-Reaktion


Menshutkin reaction


Mentzer pyrone synthesis


Merckwald asymmetric synthesis


Meyer and Hartmann reaction


Meyer reaction


Meyer synthesis


Meyer-Schuster rearrangement


Michael addition


Michael addition, Michael system


Michael condensation


Michael-Addition


Michaelis-Arbuzov reaction


Michaelis-Arbuzov-Reaktion


Miescher degradation


Mignonac reaction


Milas hydroxylation of olefins


Mitsunobu reaction


Mitsunobu-Reaktion


Mukaiyama aldol addition


Mukaiyama reaction


Name


Nametkin rearrangement


Nazarov cyclization reaction


Neber rearrangement


Nef reaction


Negishi coupling


Negishi-Kupplung


Negishi-Zipper reaction


Nenitzescu indole synthesis


Nenitzescu reductive acylation


Niementowski quinazoline synthesis


Niementowski quinoline synthesis


Nierenstein reaction


Nitroaldol reaction


Normant reagents


Norrish-Reaktionen


Noyori asymmetric hydrogenation


Nozaki-Hiyama-Kishi Nickel/Chromium Coupling reaction


Nucleophilic acyl substitution


Olefin metathesis


Oppenauer oxidation


Oppenauer-Oxidation


Ostromyslenskii reaction, Ostromisslenskii reaction


Oxidative decarboxylation


Oxo synthesis


Oxy-Cope rearrangement


Oxymercuration


Ozonolyse


Ozonolysis


Paal-Knorr pyrrole synthesis


Paal-Knorr synthesis


Paal-Knorr-Synthese


Paneth technique


Paolini reaction


Parikh-Doering-Oxidation


Passerini reaction


Passerini-Reaktion


Paterno-Büchi reaction


Pauson-Khand reaction


Payne-Umlagerung


Pechmann condensation


Pechmann pyrazole synthesis


Pellizzari reaction


Pelouze synthesis


Perkin alicyclic synthesis


Perkin reaction


Perkin rearrangement


Perkin-Reaktion


Perkow reaction


Petasis reaction


Petasis reagent


Peterson olefination


Peterson reaction


Peterson-Olefinierung


Petrenko-Kritschenko piperidone synthesis


Pfan-Plattner azulene synthesis


Pfitzinger reaction


Pfitzner-Moffatt oxidation


Pictet-Gams isoquinoline synthesis


Pictet-Hubert reaction


Pictet-Reaktion


Pictet-Spengler isoquinoline synthesis


Pictet-Spengler reaction


Piloty alloxazine synthesis


Piloty-Robinson pyrrole synthesis


Pinacol coupling reaction


Pinacol rearrangement


Pinakol-Kupplung


Pinakol-Umlagerung


Pinner amidine synthesis


Pinner method for ortho esters


Pinner reaction


Pinner triazine synthesis


Piria reaction


Pitzer strain


Polonovski reaction


Pomeranz-Fritsch reaction


Ponzio reaction


Prelog strain


Prevost reaction


Prileschajew reaction


Prilezhaev reaction


Prins reaction


Prinzbach synthesis


Prévost-Hydroxylierung


Prévost-Woodward-Hydroxylierung


Pschorr reaction


Pummerer rearrangement


Pummerer-Umlagerung


Purdie methylation, Irvine-Purdie methylation


Quelet reaction


Ramberg-Backlund reaction


Ramberg-Bäcklund-Reaktion


Raney-Nickel


Rap-Stoermer condensation


Raschig phenol process


Reed reaction


Reed-Reaktion


Reformatskii reaction


Reformatzki-Reaktion


Reilly-Hickinbottom rearrangement


Reimer-Tiemann reaction


Reimer-Tiemann-Reaktion


Reissert indole synthesis


Reissert reaction, Reissert compound


Reppe synthesis


Retropinacol rearrangement


Reverdin reaction


Riehm quinoline synthesis


Riemschneider thiocarbamate synthesis


Riley oxidations


Riley-Reaktion


Ring closing metathesis


Ring opening metathesis


Ritter reaction


Ritter-Reaktion


Robinson Schopf reaction


Robinson annulation


Robinson-Annellierung


Robinson-Gabriel synthesis


Rosenmund reaction


Rosenmund reduction


Rosenmund-Reduktion


Rosenmund-von Braun synthesis


Rothemund reaction


Rowe rearrangement


Rubottom oxidation


Ruff-Fenton degradation


Rupe reaction


Ruzicka large ring synthesis


SN1


SN2


SNAr nucleophilic aromatic substitution


SNi


Sakurai reaction


Salol reaction


Sandheimer


Sandmeyer diphenylurea isatin synthesis


Sandmeyer isonitrosoacetanilide isatin synthesis


Sandmeyer reaction


Sandmeyer-Reaktion


Sanger reagent


Sarett oxidation


Saytzeff rule, Saytzeff's Rule


Schiemann reaction


Schiemann-Reaktion


Schlenk equilibrium


Schlosser modification


Schlosser variant


Schlosser-Lochmann reaction


Schmidlin ketene synthesis


Schmidt degradation


Schmidt reaction


Schmidt-Reaktion


Scholl reaction


Schorigin Shorygin reaction, Shorygin reaction, Wanklyn reaction


Schotten-Baumann reaction


Schotten-Baumann-Methode


Screttas-Yus reaction


Semidine rearrangement


Semmler-Wolff reaction


Serini reaction


Seyferth-Gilbert homologation


Shapiro reaction


Sharpless asymmetric dihydroxylation


Sharpless epoxidation


Sharpless oxyamination or aminohydroxylation


Sharpless-Epoxidierung


Simmons-Smith


Simmons-Smith reaction


Simonini reaction


Simonis chromone cyclization


Skraup chinolin synthesis


Skraup reaction


Smiles rearrangement


Sommelet reaction


Sonn-Müller method


Sonogashira coupling


Sonogashira-Kupplung


Staedel-Rugheimer pyrazine synthesis


Staudinger reaction


Stephen aldehyde synthesis


Stetter reaction


Stetter-Reaktion


Stevens rearrangement


Stieglitz rearrangement


Stille coupling


Stille-Kupplung


Stobbe condensation


Stollé synthesis


Stollé-Synthese


Stork acylation


Stork enamine alkylation


Strecker amino acid synthesis


Strecker degradation


Strecker sulfite alkylation


Strecker synthesis


Strecker-Synthese


Stuffer disulfone hydrolysis rule


Suzuki coupling


Suzuki-Kupplung


Swain equation


Swarts reaction


Swern oxidation


Swern-Oxidation


Sørensen formol titration


Süs reaction


Tafel rearrangement


Takai olefination


Tebbe olefination


Tebbe-Methylenierung


ter Meer reaction


Thermite reactions


Thiele reaction


Thorpe reaction


Thorpe-Ziegler-Reaktion


Tiemann rearrangement


Tiffeneau ring enlargement reaction


Tiffeneau-Demjanow rearrangement


Tiffeneau-Ringerweiterung


Tischtschenko reaction


Tishchenko reaction, Tischischenko-Claisen reaction


Tishchenko-Reaktion


Tollens reagent


Trapp mixture


Traube purine synthesis


Truce-Smiles rearrangement


Tscherniac-Einhorn reaction


Tschitschibabin reaction


Tschugajeff reaction


Tschugajew-Reaktion


Twitchell process


Tyrer sulfonation process


Ugi reaction


Ugi-Reaktion


Ullmann reaction


Ullmann-Reaktion


Upjohn dihydroxylation


Urech Hydantoin synthesis


Urech cyanohydrin method


Van Slyke determination


Varrentrapp reaction


Vilsmeier reaction


Vilsmeier-Haack reaction


Vilsmeier-Haack-Reaktion


Voight amination


Volhard-Erdmann cyclization


von Braun amide degradation


von Braun reaction


von Meyer reduction


von Richter cinnoline synthesis


von Richter reaction


Wacker-Reaktion


Wacker-Tsuji oxidation


Wagner-Jauregg reaction


Wagner-Meerwein rearrangement


Wagner-Meerwein-Umlagerung


Walden inversion


Wallach rearrangement


Weerman degradation


Weinreb ketone synthesis


Wenker ring closure


Wenker synthesis


Wessely-Moser rearrangement


Westphalen-Lettré rearrangement


Wharton reaction


Whiting reaction


Wichterle reaction


Widman-Stoermer synthesis


Wilkinson catalyst


Willgerodt rearrangement


Willgerodt-Kindler reaction


Williamson ether synthesis


Williamsonsche Ethersynthese


Winstein reaction


Wittig reaction


Wittig rearrangement


Wittig-Horner reaction


Wittig-Horner-Reaktion


Wittig-Reaktion


Wohl degradation


Wohl-Aue reaction


Wohl-Ziegler reaction


Wohl-Ziegler-Reaktion


Wohler synthesis


Wolfenstein-Boters reaction


Wolff rearrangement


Wolff-Kishner reduction


Wolff-Kishner-Reaktion


Wolff-Umlagerung


Woodward cis-hydroxylation


Woodward-Hoffmann rule


Wurtz coupling, Wurtz reaction


Wurtz-Fittig reaction


Wurtz-Fittig-Synthese


Wurtzsche Synthese


Zerewitinow-Reaktion


Ziegler-Natta-Katalyse

ChemAxon d76e6e95eb

04-07-2007 12:23:04

We are developing a reaction library of important synthetic reactions. They can be used for virtual synthesis purposes with Reactor. You can select the reaction by its name and then generate products from your starting compounds.





Our library currently contains 144 reactions and will be part of the Reactor Pro package. This development is permanent as our team is adding more named and unnamed reactions in each new release. Furthermore, the reactions are continuously improved to provide more feasible products. What is more, if you experiment non-feasible output, you can modify the behavior/selectivity of the reactions.





Additionally, we are working on the Metabolizer application, which predicts xenobiotic metabolic biotransformation pathways. It is based on the Reactor engine and upon its release it will contain a human phase I. CP450 xenobiotic biotransformation library. It contains generic, but selective biotransformations classified by chemical mechanisms. (Metabolizer is under development and will be released later in this year)





List of current virtual reactions in the reaction library:


acid azide synthesis


acyl isocyanate from amides with oxalyl chloride


alcohol oxidation with Corey Kim reagent


alcohol oxidation with Corey reagent


alcohol protection with Grieco reagent


Angeli Rimini hydroxamic acid synth


Baeyer Villiger carbonyl oxidation


Barton deamination


Baylis Hillman vinyl alkylation


Beckmann rearrangement


Bénary reaction


Biginelli pyrimidone synthesis


Bischler Möhlau indole synthesis


Bischler Napieralski isoquinoline synthesis


Blanc chloromethylation


Blum aziridine synthesis with azide


Borch reductive amination


Borsche Beech aromatic carbonyl synthesis


Bouveault Locquin amino acid synthesis


Bredereck imidazole synthesis from acil methyl acilates


Bredereck imidazole synthesis from alpha substituted ketones


Bruylant amination


Bucherer LePetit naphtol synthesis


Bucherer LePetit naphtylamine synthesis


Buchwald Hartwig cross coupling


Burgess dehidration reagent


Burton trifluoromethylation


carboxylic acid chloride synthesis


Chan Lam coupling


Chan reduction of acetylenes


Chapman rearrangement


Chichibabin amination


Clay Kinnear Perren phosphoryl chloride synthesis


Clemensen reduction


Collman carbonylation reagent in aldehyde synhesis


Cope elimination


Corey Chaykovsky reaction


Corey Winter olefin synthesis


Criege glycol cleavage


Curtius rearrangement


Dakin oxidation


Darapsky degradation


Darzens epoxide synthesis


Delepine aldehyde oxidation


Delepine amine synthesis


Dess Martin alcohol oxidizing reagent


diazoalkane acylation


diazotation of aromatic amines


Doering LaFlamme allene synthesis


Dondoni homologation


Einhorn Brunner triazole synthesis


enamine formation with modified Mannich reaction


Erlenmeyer amino acid synthesis


Eschenmoser fragmentation


Eschenmoser methylenation


Eschweiler Clarke amine methylation


Feist Benary furane synthesis


Finnegan tetrazole synthesis


Fischer indole synthesis


Fischer oxazole synthesis from cyanohydrins


Fischer oxazole synthesis from hydroxyamides


Forster diazo synthesis


Freund Gustavson cyclopropane synthesis


Friedel Crafts acylation


Friedlander quinoline synthesis


Fritsch Buttenberg Wiechell acetylene synthesis


Fukuyama coupling


Gabriel amine synthesis


Gewald aminofurane synthesis


Gewald aminopyrrole synthesis


Gewald aminothiophene synthesis


Goldberg coupling


Grignard addition to carbonyl compounds


Grignard reagent formation


Guaresky Thorpe pyridone synthesis


Guy Lemaire Guette ortho chlorination


Guy Lemaire Guette para chlorination


Hass Bender carbonyl synthesis


Heck reaction


Hell Volhardt Zelinski bromination


Henry nitro condensation


Herz benzothiazole synthesis


Hiyama coupling


Hofmann amide degradation


Horner Wadsworth Emmons olefination


Houben Hoesch phenol acylation


Houben Hoesch phenol formylation


Hunsdiecker Borodin Cristol Firth decarboxylation bromination


imino ester synthesis


isocyanate synthesis from amines with phosgene


isocyanate with nucleophile


Jones oxidation of primer alcohols


Jones oxidation of secunder alcohols


Keinan silane reagent for reductive iodination


Kendall Mattox dehydrohalogenation


Knoevenagel condensation


Knoevenagel condensation Doebner modification


Knorr quinoline synthesis


Kornblum aldehyde synthesis


Kuhn Winterstein olefination


Kumada coupling


Kumada Negishi coupling


Lawesson thiacarbonylation


Leuckart Wallach reductive amination


Lieben hypohalide oxidation haloform reaction


Madelung indole synthesis


Mannich reaction


McFadyen Stevens reduction


Meerwein Ponndorf Verley reduction


Milas olefin hydroylation


Miller Loudon Snyder nitrile synthesis


Miyaura borylation reaction


Negishi coupling


Noyori asymmetric hydrogenation of carbonyls


nucleophile acylation with acid halide


O'Donnell amino acid synthesis


Oppenauer oxidation


Oxime from active CH with nitrosation


Oxime from carbonyls with hydroxylamine


Paal Knorr furan synthesis


Paal Knorr pyrrole synthesis


Paal Knorr thiophene synthesis


Passerini condensation


Perkin reaction


Perkin rearrangement


Pfitzinger quinoline synthesis


Quellet chloroalkylation


Reformatsky reaction


Reformatsky reaction intramolecular


Reformatsky reaction of thiocarbonyls


Ritter reaction intramolecular


Ritter reaction of alcohols


Ritter reaction of alkenes


Stille carbonyl synthesis


Stille coupling


Suzuki coupling


THP group cleavage


tosylation with Koser's reagent


Ullmann condensation


Ullmann reaction classic


Voight alpha aminoketone synthesis


Volhardt Erdmann thiophene synthesis


Wacker Tsuji olefin oxidation


Wolff rearrangement





List of current virtual reactions in the biotransformation library:


Aliphatic epoxidation


Alkylen dioxy compound degradation


Aromatic epoxidation


Aromatic hydroxylation (CP450)


Aryalkyl Phosphate Cyclization Step1


Aryalkyl Phosphate Cyclization Step2


Benzdiazol formation (Cyclization)


Benzimidazole formation (Cyclization)


Benzodiazepine formation (Cyclization)


Benzoiselenazone formation (Cyclization)


Benzoquinone to hydroquinone (CP450 mediated reduction) I.


Benzoquinone to hydroquinone (CP450 mediated reduction) II


Benzoxazoline formation (Cyclization)


Catechol oxidation


Cleavage of 1,2,3-oxadiazoles


Cleavage of morpholine


Cleavage of N-nitroso pyrrolidine


Cyclic aromatization of pyridinylalkyl aldehyde


Cyclohexadienones to phenols (CP450 mediated reduction)


Cyclohexadienones to phenols (CP450 mediated reduction) II


Dealkylation on Phosphate function


Decarboxylation


Dehalogenation I. (reductive)


Dehalogenation II. (oxidative carboxylic group formation)


Dehydration I. (undetectable aliphatic hydroxylation step)


Dehydration II. (from aliphatic hydroxylated compound)


Dehydrohalogenation I. (Step 1. hydroxyl intermediate)


Dehydrohalogenation I. (Step 2. geminal dehydrohalogenation)


Dehydrohalogenation II. (cummulatic dehydrohalogenation)


Dehydrohalogenation III. (epoxide formation)


Denitration and denitrosation


Dephenylation


Desaturation of aziridine to alkene


Desaturation of cyclic alkene I


Desaturation of cyclic alkene II


Desaturation of thiol and thioester


Desulfuration (thioate oxidation)


Diamine to cyclic imine


Dihydrodiol formation from aromatic compound I


Dihydrodiol formation from aromatic compound II


Dihydrodiol formation from epoxide


Disulfide reduction


Furan formation (Cyclization) Step1


Furan formation (Cyclization) Step2


hetero-dealkylation and -deformylation (CP450)


Hydrazine, hydrazide cleavage to free radical compound


Hydrolysis of dioxolane


Hydroxyalkene to Tetrahydrofuran (Cyclization)


Imidazolidone from chloroethylurea (Cyclization)


Imine formation


Iminium ion formation


Lactam formation I (Cyclization)


Lactam formation II (Cyclization)


Long aliphatic chain degradation Step 1.


Long aliphatic chain degradation Step 2.


Long aliphatic chain degradation Step 3.


Metabolic hydrolysis of halogenated compound


Metabolic hydrolysis of nitrate


Metabolic hydrolysis of nucleoside


Metabolic hydrolysis of phosphate


Metabolic hydrolysis of sulphate


Metabolic hydrolysis of thioketal


Metabolic hydrolysis on carbonyl function


Methylation


Methylation of Pyridine


N-dealkylation of alkyl nitrosamine


N-dealkylation via N-hydroxylation (Step I.)


N-dealkylation via N-hydroxylation (Step II.)


N-dealkylation via N-hydroxylation (Step III.)


N-hydroxylation (Oxidation of amine I.)


NIH shift


Nitrone formation


NO release I.


NO release II.


Oxidation in morpholine and piperazine ring


oxidation of acetylenes


Oxidation of alcohol to keton


Oxidation of aliphatic quaterner amine


Oxidation of allylic alcohol to keton (alternative pathway)


oxidation of epoxides on unsaturated ring


Oxidation of nitrosamine to alcohol


Oxidation of olefins (epoxidation)


Oxidation of olefins II


oxidation of phenols I.


Oxidation of Phenols II.


Oxidation of Sulfides II. (to highest oxidation state)


Oxidation of Sulfides (CP450)


Oxidation of Sulfides I. (CP450)


Oxidation of sulfoxide


Oxidation of thiol


Oxidation of thiol to sulfate Step 1.


Oxidation of thiol to sulfate Step 2.


Oxidation of thiol to sulfate Step3.


Oxidation of Xanthine


Oxidative Cleavage of Carboxylic Esters (CP450)


Oxidative deamination


Oxidative deamination I


Oxidative Deamination II (aromatic bonded)


Oxidative Deamination II (Ring bonded)


Oxidative deamination of amidine


Oxidative decarboxylation of alpha-keto carboxylic group (Oxidative deamination Step2)


Oxidative decomposition of alkylhydrazine I.


Oxidative decomposition of alkylhydrazine II.


Oxidative decomposition of alkylhydrazine III.


Oxidative dehalogenation


Oxidative Rearragement of dihydropyridines I


Oxidative Rearragement of dihydropyridines II


Oxidative ring opening I (CP450)


Oxydation of alcohol to carboxylic acid


Oxygenation of aldehyde to carboxylic acid (CP450)


oxygenation of ketenes to carboxylic acid


Primer and seconder amine oxidation (Step 1. N-hydroxylation)


Primer and seconder amine oxidation (Step 2/a indirect NO formation)


Primer and seconder amine oxidation (Step 2b direct NO formation)


Primer and seconder amine oxidation (Step 3. NO2 formation)


Pyrrolizidine formation (cyclization)


Quinone formation I


Quinone formation II_a


Quinone formation II_b


Quinone formation III (o-quinone)


Rearrangement of aryl-N-hydroxy compound


Rearrangement of benzodiazepine to quinazole


Rearrangement of cyclobutylamin to pyrrolidine


Reduction of aldehyde and keton


Reduction of alkene


Reduction of allylic alcohol


Reduction of allylic keton


Reduction of azide


Reduction of azo


Reduction of disulfide and diselenide


Reduction of epoxide to alkene


Reduction of N-hydroxy


Reduction of nitro function


Reduction of nitroso to amine


Reduction of N-oxide


Reduction of Sulfoxide I


Reduction of sulfoxide II


Reduction of triazene


Reductive cleavage of thione I


Reductive cleavage of thione IIa


Reductive cleavage of thione IIb


Reductive glycoside cleavage


Ring cleavage of alicyclic ketone (Step 1.)


Ring cleavage of alicyclic ketone (Step 2.)


Ring cleavage of alicyclic ketone (Step 3.)


Ring cleavage of alicyclic ketone (Step 4.)


Ring cleavage of aziridine


Ring cleavage of benzofuran


Ring cleavage of benzoisoselenazolone


Ring cleavage of benzoisoxazole


Ring cleavage of benzopyranone


Ring cleavage of benzothiazole


Ring cleavage of chlorocyclopropane


Ring cleavage of cyclic amine I.


Ring cleavage of cyclic amine II.


Ring cleavage of dibenzofuran


Ring cleavage of furan


Ring cleavage of imidazole and imidazolidone I.


Ring cleavage of imidazole and imidazolidone II.


Ring cleavage of indole


Ring cleavage of nitrofuran


Ring cleavage of oxadiazolone


Ring cleavage of oxazole


Ring cleavage of oxazolidinone


Ring cleavage of oxazolidone


Ring cleavage of oxazolinone


Ring cleavage of piperazine


Ring cleavage of pyrimidine (Step 1.)


Ring cleavage of pyrimidine (Step 2.)


Ring cleavage of thiazine (Step 1.)


Ring cleavage of thiazine (Step 2.)


Ring cleavage of thiazine (Step 3.)


Ring cleavage of thiazolidine


Ring cleavage of thiazoline


Ring cleavage of thioketal (Step 1.)


Ring cleavage of thioketal (Step 2.)


Ring cyclization (triazole)


Secondary amine oxidation (Step 2 indirect NO formation)


Tetrahydrothiophene formation (Cyclization)