CHEM.PTML Laboratory



MATEO: InterMolecular Amidoalkylation Theoretical Enantioselectivity Optimization Web Server

Calculation of Enantiomeric Excess for Chiral Brønsted Acid-Catalyzed Intermolecular α-Amidoalkylation Reactions


Step 1

Option 1:Paste here SMILE codes for only 1 reaction WITHOUT LABELS

MATEO do not perform SMILE code verification, please, be sure that you are introducing the correct structures. Introducing SMILE codes of incorrect or chemically meaningless structures will lead to nonsense calculations. Please, if you need to process a larger set use upload option "From txt file" (top panel).

Insert here Reaction identificator
Insert here Substrate SMILE
Insert here Product SMILE
Insert here Catalyst SMILE
Insert here Solvent SMILE
Insert here Nucleophile SMILE


OR

Option 2: Upload smiles file with multiple reactions (example). Be aware, max size allowed 100 KB (*.csv or *.txt file)

For special necesities beyond this limit contact web server administrator, please.

Step 2

Calculation and Similarity Search


Structural Scanning


Conditions Scanning


Step 3



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