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REACTION DATABASES

Allow searching on reactions to obtain reaction and/or bibliographic data

Free
  • Chemogenesis

    • Focus: Chemogenesis is a web book, dealing with chemical reactions and chemical reactivity. It examines the rich science between the periodic table and the established disciplines of inorganic and organic chemistry.
    • Access: Online

  • Organic Syntheses (ORGSYN)

    • Focus: An electronic version of the entire series of Organic Syntheses (first published in 1921), the ORGSYN Database offers proven high-yield synthetic methods and preparations of specific compounds of broad interest to synthetic chemists.
    • Coverage: 2400 articles and over 6000 reactions
    • Source: Electronic version of printed Organic Syntheses series
    • Access: Orgsyn website or Discoverygate

  • Reaction Database - Chemical Synthesis

    • Focus: This online tool enables you to find detailed literature procedures for a desired transformation by entering the starting material and product-of-interest. In addition, the procedures include a list of reagents needed as well as links to their respective product detail pages.
    • Access: Online

  • SyntheticPages

    • Focus: SyntheticPages is a freely available interactive database of synthetic chemistry. Practical and reliable organic, organometallic and inorganic chemical synthesis, reactions and procedures are published.
    • Coverage: 292 reactions
    • Source: Reactions are submitted by graduate students, postdocs, industrialists and academics
    • Access: Online

  • Synthesis Protocols, CMLD

    • Focus: A database for solid phase, solution phase and library synthesis procedures currently developed at Boston University's Center for Chemical Methodology and Library Development (CMLD-BU).
    • Coverage: 133 reactions
    • Source: Protocols submitted by CMLD
    • Access: Online

  • The Chemical Thesaurus

    • Focus: The Chemical Thesaurus is a reaction chemistry information system which removes the artificial barriers between different subdisciplinary areas of chemistry by presenting a unified vision of inorganic and organic reaction chemistry.
    • Coverage: over 3,500 individual reactions, 3,700 species and 20,000 relational links
    • Access: Online

  • Webreactions

    • Focus: Reaction search system based on reaction types and bonding change, rather than on a search for structures of substrates and products.
    • Coverage: about 400,000 individual reactions
    • Source: chemreact + chemsynth
    • Access: Online

Commercial
  • Beilstein

  • Biotage Pathfinder

    • Focus: database of verified methods for microwave synthesis
    • Coverage: > 1000 reactions (for Free examples see Biotage Pathfinder Cookbook)
    • Access: Online

  • CASREACT

    • Focus: comprehensive coverage of organic chemistry literature
    • Coverage: > 21 million single- and multi-step reactions (1840-present) [latest count]
    • Source: journals and patents indexed in the Organic Sections of CA
    • Access: Scifinder and STN.

  • ChemInform Reaction Library (CIRX)

    • Focus: New reactions and syntheses, including enzymatic and microbial processes; applications of known methods in new areas; heterocyclic chemistry, natural product, and organo-element synthesis; new catalysts. Results can be organized by reaction type.
    • Coverage: > 1,200,000 reactions (1992 - )
    • Source: derived from ChemInform, the respected weekly journal of current reaction data published by FIZ Chemie Berlin.
    • Access: Isentris or DiscoveryGate

  • Current Chemical Reactions

    • Focus: Latest synthetic methods. Access to comprehensive reaction information, including detailed experimental conditions, full reaction flows, product yields, and key step indicators
    • Coverage: > 1,000,000 reactions updated monthly
    • Access: online via Web of Science or Reaction Citation index or offline via Magnetique tape, CD or FTP

  • Current Synthetic Methodology (CSM)

    • Focus: New reagents or important modifications of known reagents, Chemo-, regio-, and stereoselective reactions and new synthetic methodology
    • Coverage: 70,000 reactions (1992-)
    • Source: a subset of the ChemInform reaction library (CIRX) published by FIZ Chemie Berlin.
    • Access: Isentris or DiscoveryGate

  • (Derwent) Journal of Synthetic Methods (DJSM)

    • Focus: detailed information about new synthetic methods, high-yield functional group transformations, improvements to existing methodologies, and reactions representing the most significant new patents.
    • Coverage: > 75,000 reactions (1980- )
    • Source: Derwent's Journal of Synthetic Methods: 130 primary chemical journals and patents from 40 issuing authorities
    • Access: Isentris, DiscoveryGate and STN

  • Encyclopedia of Reagents for Organic Synthesis (e-EROS)

    • Focus: systematic and exhaustive coverage of reagents used in organic chemistry
    • Coverage: 4000 reagents and around 70,000 reactions.
    • Source: e-EROS Encyclopedia of Reagents for Organic Synthesis
    • Access: online

  • Failed Reactions

    • Focus: reactions with unexpected results
    • Source: from published literature
    • Access: In-house

  • FlowReact Search

    • Focus: database of flow chemistry reactions
    • Coverage: > 2000 reactions
    • Access: Online

  • LigBank

    • Focus:A database of ligands for catalytic reactions in synthetic organic chemistry. The objective is to promote exchange of new ligands and to facilitate their commercialisation.
    • Access: Online

  • Patent Chemistry Database (PCD)

    • Focus:The Patent Chemistry Database (PCD) indexes reactions, experimental reaction text and substance related information from English language organic chemistry and life science patents
    • Coverage: 5,100,000 reactions: Covered International Patent Classes [IPC]: C07 Organic Chemistry, A61K Drugs [Medicinal, Dental, Cosmetic Preparations], A01N Biocides [Agrochemicals, Disinfectants, etc.], C09B Dyes from PCT (WO, 1978 -), European (EP; 1978 -), US (1976 -)
    • Source: English language organic chemistry patents since 1976
    • Access: Crossfire and Reaxys

  • Protecting groups (SPG)

    • Focus: Methods for protection, deprotection and transprotection and includes the ability to search generically, based on functional groups, protected groups, tolerated groups and reaction conditions.
    • Access: In-house

  • Reaction Citation Index

    • Focus: combination of Current Chemical Reactions and Science Citation Index
    • Coverage: > 400,000 reactions and > 2 million references (1980 -)
    • Source: organic chemistry journals
    • Access: Magnetic tape

  • Reference Library of Synthetic Methodology

    • Focus: novel organic synthetic methodologies, selective functional group transformations, metal-mediated chemistry, and asymmetric syntheses
    • Coverage: 209,800 reactions and 271,000 molecules (1946-1991)
    • Source: Combination of THEILHEIMER (Synthetic Methods of Organic Chemistry 1946-1980); Current Literature File (primary literature 1983-1991; Core (primary literature through 1991); CHIRAS (asymmetric synthesis literature 1975-1991); and METALYSIS (metal-mediated transformation literature 1974-1991)
    • Access: Isentris, DiscoveryGate

  • Science of Synthesis (electronic version)

    • Focus: critical treatment of synthetic organic and organometallic chemistry (previously Houben-Weyl). Contains evaluated methodology, detailed experimental procedures, and a discussion of the field.
    • Coverage: about 240,000 reactions and 800,000 structures
    • Source: journal and patent literature (1800-present)
    • Access: Online

  • Solid Phase Organic Reactions (SPORE)

    • Focus: solid-phase organic chemistry (polymeric materials, linkers, solid supports and protecting groups)
    • Coverage: 37,000 reactions and 25,900 molecules (1963- )
    • Source: 150 journals and patents. SPORE is compiled by FIZ Chemie Berlin
    • Access: Isentris or DiscoveryGate

  • Solid-Phase Synthesis (SPS)

    • Focus: solid-phase organic chemistry for combinatorial en parallel synthesis
    • Source: Selection from literature and patents
    • Access: In-house

  • SPRESIweb and SPRESI

    • Focus: organic reactions. Also subsets are available: CHEMREACT, CHEMSYNTH and CHEMREACT68 with criteria as 50% yield and multiple occurrence
    • Coverage: 3.9 million reactions
    • Source: Selection from literature and pattents 1974-2007
    • Access: Spresi.com or Isentris or as SD-files or RD-files

  • Synthline® on the Web

    • Focus: presents in structure-searchable format the schemes of synthesis for drugs currently on the market or in development worldwide
    • Coverage: > 15,000 synthesis schemes, > 9,500 end products an > 68,000 synthesis intermediates
    • Source: Publications in the field of medicinal chemistry and the current patent literature. The database includes all schemes of synthesis published in the Prous Science journal Drugs of the Future since January 1976.
    • Access: Internet or CD-rom