Examples

Try one of these RInChI strings (examples to come...).

Reconstruct a reaction from an RInChI string

Enter an RInChI string below. It is highly recommended that you also enter the accompanying RAuxInfo. A reaction can usually - but not always - be reconstructed from RInChI alone.

If you do not have RAuxInfo we will per default reconstruct a 0D version of the RXN and RD files. We can attempt to reconstruct sensible 2D coordinates with the help of RDKit if you check the "Reconstruct 2D" checkbox (it will have no effect if RAuxInfo is present).

RInChI string:

RInChI AuxInfo:

Reconstruct 2D (if RAuxInfo blank)


RXN file reconstructed from RInChI string + RAuxInfo:


RD file reconstructed from RInChI string + RAuxInfo:

Link to source code will be available shortly...