You must create a comma separated value (.csv) file containing all the steps. Each row of the file must represent a reaction with four columns:

(1) Reaction SMIRKS
(2) Arrow codes
(3) Original source
(4) Auxilary information (e.g. initial energy, special condition such as low pressure)

Then send the file via email to:

• Ryan Miller , Email: rjmille3 [at] uci [dot] edu.
• Pierre Baldi , Email: pfbaldi [at] uci [dot] edu.

The subject of the email must read Upload Reactions to PMechDB.
Upon automatic and manual examination of the reactions, you will receive and email with information on weather the reaction was inserted into the PMechDB database or not.
You can also check out the documentation for more info or contact us with your questions.