<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Sayapin YA</submitter><funding>State Assignment for Research SSC RAS</funding><funding>Ministry of Science and Higher Education of the Russian Federation</funding><funding>National Foundation for Science and Technology Development</funding><funding>State assignment for Research</funding><funding>Russian Foundation for Basic Research</funding><pagination>18226-18234</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC8296560</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>6(28)</volume><pubmed_abstract>Derivatives of 2-(2-indolyl)-cyclopenta[b]pyrrole-3,4-diones and pyrindino[1,2-a]indoles were synthesized by a new reaction of contraction of the &lt;i>o&lt;/i>-quinone ring, and their structures were investigated by X-ray crystallography and nuclear magnetic resonance spectroscopy. The mechanisms of the reactions were suggested based on density functional theory calculations of the critical parts of the potential energy surfaces.</pubmed_abstract><journal>ACS omega</journal><pubmed_title>New Reactions of Contraction of the &lt;i>o&lt;/i>-Quinone Ring with the Formation of Derivatives of 2-(2-Indolyl)-cyclopenta[b]pyrrole-3,4-diones and Pyrindino[1,2-a]indoles: A Combined Experimental and Density Functional Theory Investigation.</pubmed_title><pmcid>PMC8296560</pmcid><funding_grant_id>17-53-540003_Viet_a</funding_grant_id><funding_grant_id>????????-??19-119092390076-7</funding_grant_id><funding_grant_id>0852-2020-0031</funding_grant_id><funding_grant_id>104.01-2015.68</funding_grant_id><funding_grant_id>01201354239</funding_grant_id><pubmed_authors>Tran DL</pubmed_authors><pubmed_authors>Sayapin YA</pubmed_authors><pubmed_authors>A Krasnikova T</pubmed_authors><pubmed_authors>Tkachev VV</pubmed_authors><pubmed_authors>Bang DN</pubmed_authors><pubmed_authors>Tupaeva IO</pubmed_authors><pubmed_authors>M Aldoshin S</pubmed_authors><pubmed_authors>A Gusakov E</pubmed_authors><pubmed_authors>Duong TN</pubmed_authors><pubmed_authors>Nguyen TV</pubmed_authors><pubmed_authors>Dorogan IV</pubmed_authors><pubmed_authors>Vu Dinh H</pubmed_authors><pubmed_authors>Minkin VI</pubmed_authors></additional><is_claimable>false</is_claimable><name>New Reactions of Contraction of the &lt;i>o&lt;/i>-Quinone Ring with the Formation of Derivatives of 2-(2-Indolyl)-cyclopenta[b]pyrrole-3,4-diones and Pyrindino[1,2-a]indoles: A Combined Experimental and Density Functional Theory Investigation.</name><description>Derivatives of 2-(2-indolyl)-cyclopenta[b]pyrrole-3,4-diones and pyrindino[1,2-a]indoles were synthesized by a new reaction of contraction of the &lt;i>o&lt;/i>-quinone ring, and their structures were investigated by X-ray crystallography and nuclear magnetic resonance spectroscopy. The mechanisms of the reactions were suggested based on density functional theory calculations of the critical parts of the potential energy surfaces.</description><dates><release>2021-01-01T00:00:00Z</release><publication>2021 Jul</publication><modification>2025-04-26T03:53:18.163Z</modification><creation>2022-02-10T23:06:43.818Z</creation></dates><accession>S-EPMC8296560</accession><cross_references><pubmed>34308053</pubmed><doi>10.1021/acsomega.1c02033</doi></cross_references></HashMap>