Simulation of organic reactions

Predict the outcome of organic reactions, customize the reagents and stoichiometry, and anticipate possible side processes and interferences.

As easy as that

1. Search or draw the molecular structure of any organic compound.

2. Enter the reacting or target functional group, or the reaction name.

3. Select the specific transformation that you are looking for.

4. Check the suggested reaction conditions and pick the best ones for you.

5. Let the wizard simulate the organic reaction on your specific reagent.

6. Check the predicted product and store it in your ORCOD scheme.

Download and try it now

Start using Artificial Intelligence in your chemical projects

  • Obtain trustable chemical simulations in a few seconds
  • Predict the most probable product of an organic reaction with any reagent
  • Simulate with documented, robust and reliable reaction conditions
  • Avoid/minimize side reactions, polymerization and synthetic deviations systematically
  • Simulate chemical processes even if they have not been described in the scientific literature

Search for the exact or approximate transformations

Look for reactions that can be carried out on your specific reagent according to different criteria by using Artificial Intelligence.

  • Reaction name, type of reaction or synonymous
  • Reacting functional group
  • Target functional group

Speed up your predictions

Obtain fast simulations within a few clicks by using simple models or complex structures, without performing quantum calculations.

The simpler the molecular model, the faster the simulation.

Detect side reactions and other interferences

Let the simulation wizard warn you on possible drawbacks of some particular reactions.

  • Minimize by products and side reactions
  • Unravel reactive priorities
  • Prevent polymerization

Tune the stoichiometry of the simulated reactions

Predict the most probable products by introducing 1 or more equivalents of the conditions reagents, or under excess amounts.

Decide to predict the outcome considering intramolecular or intermolecular approaches, or both.