Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search.

We report an explorative study based on automated reaction search method that avoid the cognitive bias in searching the chemical reaction space. We have discussed the chemical space of HCN dimer elaborately, and the important trimers and tetramers are discussed briefly. A component wise molecular fingerprint based methodology is proposed for identifying molecular similarity. Overall, we present four different thermal routes to cis/trans-2,3-diaminomaleonitrile and 4-aminoimidazole-5-carbonitrile, the important intermediates in the prebiotic chemistry.
PMID: 29369429 [PubMed - as supplied by publisher]

Source: Chemistry - January 25, 2018 Category: Chemistry Authors: Nandi S, Bhattacharyya D, Anoop A Tags: Chemistry Source Type: research