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Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0050","doi-asserted-by":"crossref","first-page":"2305","DOI":"10.1016\/j.bmcl.2007.01.057","article-title":"Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR","volume":"17","author":"DiMauro","year":"2007","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0055","doi-asserted-by":"crossref","first-page":"3907","DOI":"10.1016\/j.bmcl.2004.05.064","article-title":"4-Acylamino-6-arylfuro[2,3-d]pyrimidines: potent and selective glycogen synthase kinase-3 inhibitors","volume":"14","author":"Maeda","year":"2004","journal-title":"Bioorg. Med. Chem. 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Chem."},{"key":"10.1016\/j.bioorg.2023.106390_b0085","doi-asserted-by":"crossref","first-page":"8193","DOI":"10.1039\/D2RA00889K","article-title":"Identification of novel furo[2,3-d]pyrimidine based chalcones as potent anti-breast cancer agents: synthesis, in vitro and in vivo biological evaluation","volume":"12","author":"Mansour","year":"2022","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2023.106390_h0480","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.fjps.2015.12.001","article-title":"Furo[2,3-d]pyrimidine based derivatives as kinase inhibitors and anticancer agents","volume":"2","author":"Aziz","year":"2016","journal-title":"Future J. Pharm. 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Soc."},{"key":"10.1016\/j.bioorg.2023.106390_h0515","doi-asserted-by":"crossref","first-page":"374","DOI":"10.1080\/00304948.2020.1771961","article-title":"Solvent-free synthesis of halogenated furo[2,3-d]pyrimidines and their cytotoxic activity on the T47D breast cancer cell line","volume":"52","author":"Zonouzi","year":"2020","journal-title":"Org. Prep. Proced. 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Soc."},{"key":"10.1016\/j.bioorg.2023.106390_b0150","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1055\/s-0033-1340088","article-title":"Synthesis of 2,4,6-triarylpyridines using ZrOCl2 under solvent-free conditions","volume":"25","author":"Moosavi-Zare","year":"2014","journal-title":"Synlett"},{"key":"10.1016\/j.bioorg.2023.106390_b0155","doi-asserted-by":"crossref","first-page":"2632","DOI":"10.1016\/j.bmcl.2013.02.099","article-title":"Green synthesis of tetrahydropyrimidine analogues and evaluation of their antimicrobial activity","volume":"23","author":"Darandale","year":"2013","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0160","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/j.cclet.2010.09.026","article-title":"ZrOCl2\u00b78H2O catalyzed solvent-free synthesis of isobenzofuran-1(3H)-ones","volume":"22","author":"Sangshetti","year":"2011","journal-title":"Chinese Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0165","doi-asserted-by":"crossref","first-page":"762","DOI":"10.1016\/j.cclet.2008.05.007","article-title":"ZrOCl2\u00b78H2O catalyzed one-pot synthesis of 2,4,5-triaryl-1H-imidazoles and substituted 1,4-di(4,5-diphenylimidazol-yl)benzene","volume":"19","author":"Sangshetti","year":"2008","journal-title":"Chinese Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0170","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1016\/j.catcom.2006.06.003","article-title":"ZrOCl2\u00b78H2O as an environmentally friendly and recyclable catalyst for the chemoselective synthesis of 2-aryloxazolines and bis-oxazolines under thermal conditions and microwave irradiation","volume":"8","author":"Mohammadpoor-Baltork","year":"2007","journal-title":"Catal. Commun."},{"key":"10.1016\/j.bioorg.2023.106390_b0175","doi-asserted-by":"crossref","first-page":"2517","DOI":"10.1080\/00397911.2012.718026","article-title":"ZrOCl2\u00b78H2O: an efficient, ecofriendly, and recyclable catalyst for ultrasound-accelerated, one-pot, solvent-free synthesis of 8-aryl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-(5H)-one and 4-aryl-3,4-duhydroquinolin-2(1H)-one derivatives","volume":"43","author":"Azarifar","year":"2013","journal-title":"Synth. Commun."},{"key":"10.1016\/j.bioorg.2023.106390_b0180","doi-asserted-by":"crossref","first-page":"2307","DOI":"10.1080\/00397910600639828","article-title":"ZrOCl2\u00b78H2O as an efficient reagent for the solvent-free synthesis of 3,4-dihydropyrimidin-2-(1H)-ones","volume":"36","author":"Shirini","year":"2006","journal-title":"Synth. Commun."},{"key":"10.1016\/j.bioorg.2023.106390_b0185","doi-asserted-by":"crossref","first-page":"1008","DOI":"10.1134\/S1070428022070107","article-title":"Zirconium(IV) oxychloride octahydrate (ZrOCl2\u00b78H2O): an efficient catalyst for the one-pot multicomponent synthesis of hexahydroquinoline derivatives under conventional heating and microwave irradiation","volume":"58","author":"Tasqeeruddin","year":"2022","journal-title":"Russian J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_b0190","doi-asserted-by":"crossref","first-page":"145","DOI":"10.5267\/j.ccl.2016.8.001","article-title":"A green chemoselective one-pot protocol for expeditious synthesis of symmetric pyranodipyrimidine derivatives using ZrOCl2\u00b78H2O","volume":"5","author":"Rimaz","year":"2016","journal-title":"Curr. Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0195","doi-asserted-by":"crossref","first-page":"159","DOI":"10.5267\/j.ccl.2015.6.001","article-title":"ZrOCl2\u00b78H2O as a green and efficient catalyst for the expeditious synthesis of substituted 3-arylpyrimido[4,5-c]pyridazines in water","volume":"4","author":"Rimaz","year":"2015","journal-title":"Curr. Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_b0200","doi-asserted-by":"crossref","first-page":"1569","DOI":"10.1007\/s00706-013-1038-z","article-title":"Green chemistry: ZrOCl2\u00b78H2O catalyzed regioselective synthesis of 5-amino-1-aryl-1H-tetrazoles from secondary arylcyanamides in water","volume":"144","author":"Khalili","year":"2013","journal-title":"Monatsh. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0745","doi-asserted-by":"crossref","first-page":"8323","DOI":"10.1021\/cr400615v","article-title":"Small heterocycles in multicomponent reactions","volume":"114","author":"Rostein","year":"2014","journal-title":"Chem. Rev."},{"key":"10.1016\/j.bioorg.2023.106390_h0750","doi-asserted-by":"crossref","first-page":"3083","DOI":"10.1021\/cr100233r","article-title":"Chemistry and biology of multicomponent reactions","volume":"112","author":"D\u00f6mling","year":"2012","journal-title":"Chem. Rev."},{"key":"10.1016\/j.bioorg.2023.106390_h0755","doi-asserted-by":"crossref","first-page":"eabd9307","DOI":"10.1126\/sciadv.abd9307","article-title":"Multicomponent reaction\u2013derived covalent inhibitor space","volume":"7","author":"Sutanto","year":"2021","journal-title":"Sci. Adv."},{"key":"10.1016\/j.bioorg.2023.106390_h0760","doi-asserted-by":"crossref","first-page":"35158","DOI":"10.1039\/D2RA07056A","article-title":"Bioactive 2-pyridone-containing heterocycle syntheses using multicomponent reactions","volume":"12","author":"Hurtado-Rodr\u00edguez","year":"2022","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2023.106390_h0765","doi-asserted-by":"crossref","first-page":"2958","DOI":"10.1021\/cr300176g","article-title":"Arylglyoxals in synthesis of heterocyclic compounds","volume":"113","author":"Eftekhari-Sis","year":"2013","journal-title":"Chem. Rev."},{"key":"10.1016\/j.bioorg.2023.106390_h0770","doi-asserted-by":"crossref","first-page":"131742","DOI":"10.1016\/j.molstruc.2021.131742","article-title":"A concise and focused overview upon arylglyoxal monohydrates-based one-pot multi-component synthesis of fascinating potentially biologically active pyridazines","volume":"1251","author":"Mousavi","year":"2022","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2023.106390_h0775","doi-asserted-by":"crossref","first-page":"7763","DOI":"10.1021\/acs.joc.2c00353","article-title":"Sc(OTf)3-Mediated one-pot synthesis of coumarin-fused furans: a thiol-dependent reaction for the easy access of 2-phenyl-4H-furo[3,2-c]chromen-4-ones","volume":"87","author":"Jana","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0780","doi-asserted-by":"crossref","first-page":"7838","DOI":"10.1021\/acs.joc.2c00475","article-title":"Multicomponent assembly of trisubstituted imidazoles and their photochemical cyclization into fused polyheterocyclic scaffolds","volume":"87","author":"Gapanenok","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0785","doi-asserted-by":"crossref","first-page":"11399","DOI":"10.1021\/acs.joc.2c00922","article-title":"Multicomponent synthesis of fluorescent thiazole\u2013indole hybrids and thiazole-based novel polymers","volume":"87","author":"Bhaumick","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0790","doi-asserted-by":"crossref","first-page":"14250","DOI":"10.1021\/acs.joc.2c01753","article-title":"Arylation and aryne insertion into C-acylimines: a simple, flexible, and divergent synthesis of C2-aryl indoles","volume":"87","author":"Yaragorla","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0795","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1021\/acs.joc.9b02063","article-title":"Multicomponent cascade reaction by metal-free aerobic oxidation for synthesis of highly functionalized 2-amino-4-coumarinyl-5-arylpyrroles","volume":"85","author":"Zi","year":"2020","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0800","doi-asserted-by":"crossref","first-page":"8405","DOI":"10.1021\/acs.joc.0c00732","article-title":"Series of functionalized 5-(2-arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1H,3H)-diones: a water-mediated three-component catalyst-free protocol revisited","volume":"85","author":"Brahmachari","year":"2020","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0805","doi-asserted-by":"crossref","first-page":"133259","DOI":"10.1016\/j.molstruc.2022.133259","article-title":"3-Alkoxy-1,5-bis(aryl)imidazolidine-2,4-diones, synthesis and structure","volume":"1264","author":"Shtamburg","year":"2022","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2023.106390_h0810","doi-asserted-by":"crossref","first-page":"1266","DOI":"10.1002\/jhet.4456","article-title":"p-Toluenesulfonic acid catalyzed, isocyanide-free, Groebke\u2013 Blackburn-Bienayme (GBB) type multicomponent synthesis of 3-anilino-imdazo[1,2-a]pyridines","volume":"59","author":"Jalani","year":"2022","journal-title":"J. Heterocycl. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0815","doi-asserted-by":"crossref","first-page":"442","DOI":"10.1002\/jhet.4179","article-title":"A single-step synthesis of 1,3,4,6-tetraaryl-5-aryliminopiperazin-2-one","volume":"58","author":"El-Araby","year":"2021","journal-title":"J. Heterocycl. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0820","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1007\/s11164-021-04554-z","article-title":"Survey reactivity of 2-aminopyridine and Meldrum\u2019s acid in the presence of aryl glyoxals or or aryl aldehydes; ethyl 2-(3-aryl imidazo[1,2-a]pyridin-2-yl)acetates versus ethyl 3-aryl-3-(pyridin-2-ylamino)propanoates","volume":"48","author":"Asadi","year":"2022","journal-title":"Res. Chem. Intermed."},{"key":"10.1016\/j.bioorg.2023.106390_h0825","doi-asserted-by":"crossref","first-page":"154158","DOI":"10.1016\/j.tetlet.2022.154158","article-title":"Construction of novel penta cyclic indolo-furo[3,2-c]quinoline and dihydrochromeno-furo[2,3-b]indol via sequential annulation strategy","volume":"109","author":"Yadav","year":"2022","journal-title":"Tetrahedron Lett."},{"key":"10.1016\/j.bioorg.2023.106390_h0830","doi-asserted-by":"crossref","first-page":"55","DOI":"10.5267\/j.ccl.2016.12.001","article-title":"Fast and convenient synthesis of new symmetric pyrano[2,3-d:6,5-d\u2019]dipyrimidinones by an organocatalyzed annulation reaction","volume":"6","author":"Rimaz","year":"2017","journal-title":"Curr. Chem. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_h0835","doi-asserted-by":"crossref","first-page":"9488","DOI":"10.1021\/acs.joc.2c00382","article-title":"Synthesis of 4-tetrazolyl-substituted 3,4-dihydroquinazoline derivatives with anticancer activity via a one-pot sequential Ugi-azide\/palladium-catalyzed azide-isocyanide cross-coupling\/cyclization reaction","volume":"87","author":"Xiong","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0840","doi-asserted-by":"crossref","first-page":"7464","DOI":"10.1021\/acs.joc.1c02454","article-title":"Insights in the synthesis of imidazolones from aldehydes, isocyanides, or oxazolines","volume":"87","author":"Frippiat","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0845","doi-asserted-by":"crossref","first-page":"7085","DOI":"10.1021\/acs.joc.2c00244","article-title":"Highly stereoselective Ugi\/Pictet\u2013Spengler sequence","volume":"87","author":"Zhang","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0850","doi-asserted-by":"crossref","first-page":"4569","DOI":"10.1021\/acs.joc.1c02885","article-title":"Diaryliodoniums as hybrid hydrogen-and halogen-bond-donating organocatalysts for the Groebke\u2013Blackburn\u2013Bienaym\u00e9 reaction","volume":"87","author":"Il\u2019in","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0855","doi-asserted-by":"crossref","first-page":"10199","DOI":"10.1021\/acs.joc.2c01141","article-title":"Sulfonium and selenonium salts as noncovalent organocatalysts for the multicomponent Groebke\u2013Blackburn\u2013Bienaym\u00e9 reaction","volume":"87","author":"Il\u2019in","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0860","doi-asserted-by":"crossref","first-page":"7076","DOI":"10.1021\/acs.joc.2c00238","article-title":"Synthesis of N\u03b2-substituted 1,2-diazetidin-3-ones by the Ugi reaction comprising chiral \u03b1-hydrazino acids","volume":"87","author":"Sajko","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0865","doi-asserted-by":"crossref","first-page":"9391","DOI":"10.1021\/acs.joc.2c00694","article-title":"One-pot diastereoselective synthesis of pyrrolopiperazine-2,6-diones by a Ugi\/nucleophilic substitution\/N-acylation sequence","volume":"87","author":"Gonz\u00e1lez-Saiz","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0870","doi-asserted-by":"crossref","first-page":"14463","DOI":"10.1021\/acs.joc.2c01905","article-title":"Access to isoquinolin-2(1H)-yl-acetamides and isoindolin-2-yl-acetamides from a common MCR precursor","volume":"87","author":"Li","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0875","doi-asserted-by":"crossref","first-page":"13023","DOI":"10.1021\/acs.joc.2c01561","article-title":"A bifurcated multicomponent synthesis approach to polycyclic quinazolinones","volume":"87","author":"Xu","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0880","doi-asserted-by":"crossref","first-page":"7778","DOI":"10.1021\/acs.joc.2c00387","article-title":"Synthesis of pyrrolidin-5-one-2-carboxamides through cyclization of N-substituted-2-alleneamides","volume":"87","author":"Shahriari","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0885","doi-asserted-by":"crossref","first-page":"3422","DOI":"10.1021\/acs.joc.1c03008","article-title":"[4 + 1 + 1] Tandem cyclization reaction involving isocyanides: access to 2-(trifluoromethyl)quinazolin-4(3H)-imines","volume":"87","author":"Ge","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0890","doi-asserted-by":"crossref","first-page":"823","DOI":"10.1021\/acs.joc.1c02501","article-title":"Dieckmann condensation of Ugi N-acylamino amide product: facile access to functionalized 2,2-disubstituted indolin-3-ones","volume":"87","author":"Li","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0895","doi-asserted-by":"crossref","first-page":"3156","DOI":"10.1021\/acs.joc.1c02890","article-title":"NaN(SiMe3)2\/CsTFA copromoted aminobenzylation\/cyclization of 2-isocyanobenzaldehydes with toluene derivatives or benzyl compounds: one-pot access to dihydroquinazolines and quinazolines","volume":"87","author":"Meng","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0900","doi-asserted-by":"crossref","first-page":"15187","DOI":"10.1021\/acs.joc.2c01719","article-title":"Multicomponent cascade reaction of 3-cyanochromones: highly site-selective synthesis of 2-(1H-imidazol-1-yl)-4H-chromen-4-one derivatives","volume":"87","author":"Lv","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0905","doi-asserted-by":"crossref","first-page":"15120","DOI":"10.1021\/acs.joc.2c01622","article-title":"Aerobic copper-catalyzed four-component reaction of O-phenylenediamines, isocyanides, and selenium powder for the assembly of benzo[4,5]imidazo[2,1-c][1,2,4]selenadiazol-3-imine derivatives","volume":"87","author":"Liu","year":"2022","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0910","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1021\/acs.orglett.1c03693","article-title":"Chemoselective trimerization of isocyanides: de novo synthesis of 2-indole-substituted quinolines and pyridines","volume":"24","author":"Bao","year":"2022","journal-title":"Org. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_h0915","doi-asserted-by":"crossref","first-page":"5014","DOI":"10.1021\/acs.orglett.2c01642","article-title":"Synthesis of tunable fluorescent imidazole-fused heterocycle dimers","volume":"24","author":"Zheng","year":"2022","journal-title":"Org. Lett."},{"key":"10.1016\/j.bioorg.2023.106390_h0920","doi-asserted-by":"crossref","first-page":"24466","DOI":"10.1039\/D1RA04444C","article-title":"Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","volume":"11","author":"Mohlala","year":"2021","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2023.106390_h0925","doi-asserted-by":"crossref","first-page":"21967","DOI":"10.1039\/D1NJ04514H","article-title":"Synthesis of polysubstituted pyrroles via isocyanide-based multicomponent reactions as an effecient synthesis tool","volume":"45","author":"Nazeri","year":"2021","journal-title":"New J. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0930","doi-asserted-by":"crossref","first-page":"686","DOI":"10.1002\/jhet.4406","article-title":"One-pot synthesis of novel spirocyclic-dihydropyrazine-2-(1H)ones through a Ugi 4-CR\/deprotection","volume":"59","author":"Khodadadi","year":"2022","journal-title":"J. Heterocycl. Chem."},{"key":"10.1016\/j.bioorg.2023.106390_h0935","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1002\/jhet.4438","article-title":"Groebke\u2013Blackburn\u2013Bienaym\u00e9 multicomponent reaction coupled with unconventional Pictet-Spengler cyclization for the synthesis of imidazo[4,5-b]pyridine fused polycyclic heterocycles","volume":"59","author":"Singh","year":"2022","journal-title":"J. Heterocycl. 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