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Reactions somebody actually ran

Experiments from public datasets, filed by the chemistry they do rather than by the paper they came from. Each record keeps its conditions, its measured yield where one was published, and a link back to the source.

23 classesEvery record carries its source

This is the half of the library that is evidence. A mechanism tells you how a class is thought to work and a transformation tells you what the engine will do with your structures; a record tells you what happened when somebody mixed those things together, under conditions they wrote down.

Classes with recorded chemistry

Buchwald–Hartwig amination

Recorded reactions, each with the conditions it was run under and a link to its source.

Suzuki–Miyaura coupling

Recorded reactions, each with the conditions it was run under and a link to its source.

Reductive amination

Recorded reactions, each with the conditions it was run under and a link to its source.

Mizoroki–Heck reaction

Recorded reactions, each with the conditions it was run under and a link to its source.

Imidazole arylation

Recorded reactions, each with the conditions it was run under and a link to its source.

Buchwald–Hartwig etherification

Recorded reactions, each with the conditions it was run under and a link to its source.

Boc deprotection

Recorded reactions, each with the conditions it was run under and a link to its source.

Buchwald–Hartwig phosphination

Recorded reactions, each with the conditions it was run under and a link to its source.

Buchwald–Hartwig thioetherification

Recorded reactions, each with the conditions it was run under and a link to its source.

Palladium-catalysed enolate arylation

Recorded reactions, each with the conditions it was run under and a link to its source.

Sonogashira coupling

Recorded reactions, each with the conditions it was run under and a link to its source.

Decarboxylative cross-coupling

Recorded reactions, each with the conditions it was run under and a link to its source.

Oxidation

Recorded reactions, each with the conditions it was run under and a link to its source.

Reduction

Recorded reactions, each with the conditions it was run under and a link to its source.

Elimination

Recorded reactions, each with the conditions it was run under and a link to its source.

Esterification

Recorded reactions, each with the conditions it was run under and a link to its source.

Deprotection

Recorded reactions, each with the conditions it was run under and a link to its source.

Addition

Recorded reactions, each with the conditions it was run under and a link to its source.

Amide formation

Recorded reactions, each with the conditions it was run under and a link to its source.

Combustion

Recorded reactions, each with the conditions it was run under and a link to its source.

Acylation

Recorded reactions, each with the conditions it was run under and a link to its source.

Olefination

Recorded reactions, each with the conditions it was run under and a link to its source.

Substitution

Recorded reactions, each with the conditions it was run under and a link to its source.

What a record can and cannot tell you

A record is a statement that this was run and this came out. It is not a statement that it will work for you, that the conditions are optimal, or that the yield is reproducible. Where the source did not record something, the page says it is not recorded rather than supplying a plausible default.

Some procedures cannot be reproduced here verbatim because of the licence on the source. Those records say the procedure is withheld and link to the original, which is the honest option: a paraphrase of a procedure is a procedure nobody checked.

Looking for a specific reaction?

Browsing works when you know the class. When you know the molecules, the Reaction Lab is faster: give it your reactants and it finds records that do the same transformation, ranked by how alike the bond changes are rather than by how alike the molecules look.

Questions people ask

Can I search by my own structures instead of browsing?

Yes, and for most questions it is the better route. The Reaction Lab takes the reactants you draw or paste and finds records that perform the same transformation, including on molecules that look nothing like yours. It needs no account.

What conditions are recorded?

Whatever the source recorded: temperature, solvent, reagents, catalyst, time and measured yield where they were published. Anything the source did not state is shown as not recorded rather than filled in with a typical value.