Evidence map›Paper›PMID 33797670›Full record

ArticleMolecular diversity2022

One-pot parallel synthesis of 1,3,5-trisubstituted 1,2,4-triazoles.

Dmytro S Radchenko, Vasyl S Naumchyk, Igor Dziuba, Andrii A Kyrylchuk, Kateryna E Gubina, Yurii S Moroz, Oleksandr O Grygorenko

Abstract read
In one paragraph

Article in Molecular diversity, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

6 citing papers in PubMed.

  1. Review
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Dmytro S RadchenkoEnamine Ltd., Chervonotkatska Street 78, Kyiv, 02094, Ukraine.ORCID http://orcid.org/0000-0001-5444-7754
Vasyl S NaumchykEnamine Ltd., Chervonotkatska Street 78, Kyiv, 02094, Ukraine.
Igor DziubaChemspace, Chervonotkatska Street 78, Kyiv, 02094, Ukraine.
Andrii A KyrylchukEnamine Ltd., Chervonotkatska Street 78, Kyiv, 02094, Ukraine.ORCID http://orcid.org/0000-0002-8845-5194
Kateryna E GubinaTaras Shevchenko National University of Kyiv, Volodymyrska Street 60, Kyiv, 01601, Ukraine.
Yurii S MorozTaras Shevchenko National University of Kyiv, Volodymyrska Street 60, Kyiv, 01601, Ukraine.ORCID http://orcid.org/0000-0001-6073-002X
Oleksandr O GrygorenkoEnamine Ltd., Chervonotkatska Street 78, Kyiv, 02094, Ukraine. gregor@univ.kiev.ua.ORCID http://orcid.org/0000-0002-6036-5859

Funding

Ultra-large library docking for ligand discoveryR01GM133836 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI IRWIN, JOHN J. · 2019 to 2022
$1.6M
Ministry of Education and Science of Ukraine 19BF037-03Ministry of Education and Science of Ukraine 21BF037-01MNIGMS NIH HHS R01 GM133836NIH HHS GM133836
6 · The paper itself

Abstract

An implementation of the three-component one-pot approach to unsymmetrical 1,3,5-trisubstituted-1,2,4-triazoles into combinatorial chemistry is described. The procedure is based on the coupling of amidines with carboxylic acids and subsequent cyclization with hydrazines. After the preliminary assessment of the reagent scope, the method had 81% success rate in parallel synthesis. It was shown that over a billion-sized chemical space of readily accessible ("REAL") compounds may be generated based on the proposed methodology. Analysis of physicochemical parameters shows that the library contains significant fractions of both drug-like and "beyond-rule-of-five" members. More than 10 million of accessible compounds meet the strictest lead-likeness criteria. Additionally, 195 Mln of sp

Indexed as

Combinatorial Chemistry TechniquesTriazolesCyclizationHydrazinesMolecular StructureHydrazinesTriazolesChemical spaceCombinatorial chemistryHeterocyclesMulticomponent reactionsVirtual libraries

Identifiers

PMID33797670
PMCPMC8486894

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.