Search

Downloads. List of available RInChI downloads. A demo of the v0.03 RInChI Software can be found here.

RInChI Extended Toolkit documentation. Welcome to the RInChI Extended Toolkit documentation! The aim of the RInChI project, in the same vein as InChI, is to create a unique data string to describe a reaction. Reaction InChIs, or RInChIs, are such

Conversion Tools. Below is a web implementation for converting various formats to and from the RInChIs. Information on how to use each operation is given in the help pages. RInChI Versions. Tools on this site work with RInChI v1.00 unless otherwise

The RInChI Project. The aim of the RInChI project, in the same vein as InChI, is to create a unique data string to describe a reaction. Reaction InChIs, or RInChIs, are such data strings. They use the InChI software and from an rxn input file a

Analytical Tools. RInChIs, once generated, can provide a compact database for further analysis. The tools for doing this are below, and some helpful information is given in the help pages. RInChI Versions. Tools on this site work with RInChI v1.00

The database is also available for download..

Guidelines. To help ensure a reaction described by a. rxn file generates the same RInChI for every person there are some rules which should be followed with regard what to include and where. Catalysts and solvents appear in a specific place in the

A new page loads, with a download link to the. rxn file relating to the input RInChI. ... Excerpts from the official v1.00 documentation by Dr. Gerd Blanke. A download of the full version is available here.

RInChI Example. RInChI=1.00.1S/<>C9H6FNO5/c10-6-2-1-3-7(11(15)16)5(6)4-8(12)9(13)14/h1-3H,4H2,(H,13,14)<>H2O/h1H2!H3N.H2O/h1H3;1H2/d-. RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16/E:(13,14)(15,16)/CRV:11.5/rA:16CCCCCCCCCFNOOOOO/rB:d1;s1

RInChI Example. RInChI=1.00.1S/<>CH2Cl2/c2-1-3/h1H2!ClH/h1H<>C2H3N/c1-2-3/h1H3/d-. RAuxInfo=1.00.1/<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;!0/N:1/rA:1Cl/rB:/rC:;<>0/N:1,2,3/rA:3CCN/rB:s1;t2;/rC:;;;.