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The only thing I'm interested in is to be able to search all reactions involving that compound in the database. Equilibrium constant, reaction rate and energy of activation would all be very welcome, but in case these data are absent it's no big deal.

Doesn't need to be an online database either, I can download a software if it contains such data.

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The best known databases are Beilstein and Chemical Abstracts with around 22 millions reactions each since the end of the 19th century but they are commercial.

Organic Syntheses has made available its database for free and it covers 6000 reactions. One of the greatest advantages is that each step is described in depth and each reaction has been thoroughly tested prior to publication.

Have a look here for a list of databases.

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  • $\begingroup$ What used to be Beilstein is now Reaxys, I think it edges out Scifinder for organic. Most people I know use it $\endgroup$
    – orthocresol
    Commented Aug 3, 2016 at 15:47
  • $\begingroup$ I have not used those databases for a while but I really liked Beilstein (now Reaxys) because the structure queries were more precise than in SciFinder. $\endgroup$
    – SteffX
    Commented Aug 3, 2016 at 16:23
  • $\begingroup$ I can't access any of those that are interesting :( $\endgroup$
    – FinnTheHuman
    Commented Aug 3, 2016 at 22:45
  • $\begingroup$ I checked out with the local university, and, because it is a Catholic institution, it has a special affiliation with my school (which is also Catholic, and run by a branch of nuns from the Franciscan Clarist Order). I can go there and research the Reaxys database. So, I'll be doing that as soon as possible. $\endgroup$
    – FinnTheHuman
    Commented Aug 8, 2016 at 0:30
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SciFinder could be very useful in your case (Reaction option). However, you need to subscribe it first as it is not freely accessible.

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The best thing that comes to mind is Scifinder (https://scifinder.cas.org/). You can search scientific publications by molecule or by reaction. I've used it for organic chemistry, I have no idea of how comprehensive will it be with other fields of chemistry. And you will need to sign up. Perhaps your school has the credentials.

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A really nice database for reactions is Rhea. It is useful especially for biochemistry and has rather nice credentials such as support from the Swiss Institute for Bioinformatics. In my opinion, it is rather user friendly. Just type the reaction you want into the search bar at the very top.

Although it is a bit lacking in UX (User Experience and design), it has a lot of information with really nice diagrams.

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  • $\begingroup$ I checked that one out. But i's only use is in biochemistry. My objective has a focus on inorganic chemistry for now. $\endgroup$
    – FinnTheHuman
    Commented Aug 5, 2016 at 4:05
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I use the www.reaxys.com most often, as it is really simple to use. See comparison of similar solutions at:

http://www.infotoday.com/OnlineSearcher/Articles/InDepth-Reports/Apples-and-Oranges-A-Chemistry-Searcher-Compares-CAS-SciFinder-and-Elseviers-Reaxys-91663.shtml

or

http://csulb.libanswers.com/faq/30611

Both scifinder and reaxys are paid, universities can have institutional access to them.

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I've had a great time using the SMILES Chemical Reaction Database. It contains two million entries. It is simple to use. Contains reactant product pairs as a list of SMILES strings. Can be imported to programs such as ChemAxon's Marvinview or Mathematica. Searchable for structures. Advantages of the SMILES Chemical Reaction Database is that it includes stereochemical information. It is well known that the SMILES Chemical Reaction Database can be used for artificial intelligence algorithms in chemistry. It is available here. Download comes with an instruction book that teaches how to generate in silico combinational libraries and how to use AI to predict chemical reaction outcomes.

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