Reaction Databases

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
  • 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
    • Focus: comprehensive coverage of organic chemistry literature
    • Coverage: > 22 million chemical reactions (1771 - )
    • Source: about 180 organic chemistry journals
    • Access: Reaxys
  • 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.
  • 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
  • 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
  • FlowReact Search
    • Focus: database of flow chemistry reactions
    • Coverage: > 2000 reactions
    • 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: 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
  • 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 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