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The RInChI Project
https://www-rinchi.ch.cam.ac.uk/20 Mar 2021: Downloads. The latest software can be downloaded from the InChI Trust website. -
Downloads
https://www-rinchi.ch.cam.ac.uk/downloads/Downloads. List of available RInChI downloads. A demo of the v0.03 RInChI Software can be found here. -
RInChI Extended Toolkit documentation
https://www-rinchi.ch.cam.ac.uk/docs/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
https://www-rinchi.ch.cam.ac.uk/conversion/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
https://www-rinchi.ch.cam.ac.uk/rinchi.phpThe 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
https://www-rinchi.ch.cam.ac.uk/analysis/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 -
Search Database
https://www-rinchi.ch.cam.ac.uk/database-tools/The database is also available for download.. -
Guidelines
https://www-rinchi.ch.cam.ac.uk/about/guidelines.phpGuidelines. 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 -
Help
https://www-rinchi.ch.cam.ac.uk/about/help.phpA 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
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-65.phpRInChI 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
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-829.phpRInChI 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:;;;. -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-138.phpRInChI Example. RInChI=1.00.1S/<>C10H7ClN2/c11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-7H<>H2O/h1H2/d-. RAuxInfo=1.00.1/<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13/rA:13CCCCCCCCCCClNN/rB:d1;;s1;d3;s3;s2;d4;s5s8;d6;s10;d7s8;d9s10;/rC:;;;;;;;;;;;;;<>0/N:1/rA:1O/rB: -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-57.phpRInChI Example. RInChI=1.00.1S/C4H8O/c1-2-4-5-3-1/h1-4H2!C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H<>C8H6ClF/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2/d+. RAuxInfo=1.00.1/0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;!0/N:1,2,3,4,5,6,7,8,9,10/rA -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-952.phpRInChI Example. RInChI=1.00.1S/<>C2H3N/c1-2-3/h1H3!C2H4O2/c1-2(3)4/h1H3,(H,3,4)<>CH2Cl2/c2-1-3/h1H2/d-. RAuxInfo=1.00.1/<>0/N:1,2,3/rA:3CCN/rB:s1;t2;/rC:;;;!1/N:1,2,3,4/E:(3,4)/rA:4CCOO/rB:s1;d2;s2;/rC:;;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:; -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-871.phpRInChI Example. RInChI=1.00.1S/<>C2H3N/c1-2-3/h1H3!H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)<>CH2Cl2/c2-1-3/h1H2/d-. -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-965.phpRInChI Example. RInChI=1.00.1S/<>C2H3N/c1-2-3/h1H3!CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)<>CH2Cl2/c2-1-3/h1H2/d-. -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-308.phpRInChI Example. RInChI=1.00.1S/<>K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q1;/p-1!Na.H2O/h;1H2/q1;/p-1<>C2H6OS/c1-4(2)3/h1-2H3/d-. RAuxInfo=1.00.1/<>1/N:1;2,3,4,5,6/E:;(1,2,3,4)/CRV:;5.6/rA:6KO-OOOS/rB:;;;;s2s3d4d5;/rC:;;;;;;!1/N:1;2/rA:2NaO-/rB:;/rC:;;<>0 -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-23.phpRInChI Example. RInChI=1.00.1S/<>C12H14FN3O2/c13-11-8-10(16(17)18)5-4-9(11)2-1-3-12-14-6-7-15-12/h4-5,8H,1-3,6-7H2,(H,14,15)!CH4O/c1-2/h2H,1H3!K.Mn.4O/q1;;;;;-1<>C2H3N/c1-2-3/h1H3/d-. RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/E -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-29.phpRInChI Example. RInChI=1.00.1S/<>C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;21/p-2<>C2H3N/c1-2-3/h1H3!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3!H2O/h1H2/d-. RAuxInfo=1.00.1/<>0/N:1,2,3,4,5,6,7,8/E:(1,2)(3,4)(7,8)/rA:8CCCCBrNOO/rB:s1 -
RInChI Example
https://www-rinchi.ch.cam.ac.uk/about/v10files/v1-00-350.phpRInChI Example. RInChI=1.00.1S/BrH/h1H!C6H7NO2/c8-4-5-1-2-7-6(9)3-5/h1-3,8H,4H2,(H,7,9)<>C6H6BrNO/c7-4-5-1-2-8-6(9)3-5/h1-3H,4H2,(H,8,9)/d+. RAuxInfo=1.00.1/0/N:1/rA:1Br/rB:/rC:;!1/N:1,2,3,4,5,6,7,8,9/rA:9CCCCCCNOO/rB:d1;;;s1d3s4;s3;s2d6;s4;s6;/rC:;;
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