September 22, 2020, 07:21:48 AM
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Topic: What is the most important information for summarizing a chemical synthesis?  (Read 3086 times)

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Offline azurian

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Hi,

I'm trying to create a semantic template for chemical syntheses on Wikisynth. I'm not an expert on chemical synthesis and would really appreciate the input of more knowledgeable people. The properties of the synthesis template that I have so far are: Type (total synthesis, semisynthesis, other types?), Chemical Name (target chemical), Systematic Chemical Name , Reagents, Required Chemicals, Required Equipment, Reactions, Yield, Precautions, Primary Source (a reference). Is this a suitable set of synthesis properties. Could you suggest any others? Please let me know.

Cheers,
Andrew

Offline nj_bartel

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Reactants/Solvents/Conditions for each step.  Mechanism.

Offline sjb

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side products, characterisation methods, purification details, MSDS...

All depends really how technical you want to make it

S

Offline azurian

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Thanks! What is a Characterisation Method please?

Offline sjb

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Simply put, how you make sure you've got what you think you've got.

So things like NMR, IR, UV, mass spec, Rf, alpha-D, atomic analysis (to name but a few I've used fairly regularly)...

Not everything will be of use to each procedure, mind.

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