ChemInform Abstract: A Convenient Synthesis of Partially Reduced Benzo[c]phenanthrenes, Its Ketals...

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ChemInform 2010, 41, issue 23 © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim www.cheminform.wiley-vch.de Fused 6,6,6,6-ring systems Q 1130 DOI: 10.1002/chin.201023093 A Convenient Synthesis of Partially Reduced Benzo[c]phenanthrenes, Its Ketals and Ketones. — A variety of partially reduced benzophenanthrenes, e.g. (III), (V) and (VII), is prepared by base-catalyzed cyclization of the corresponding dihydrobenzo- chromenonecarbonitriles with cyclic ketones. The cyclization with cyclohexanedione is not successful, but the corresponding monoketal (VI) reacts smoothly. The carbonyl group is then released by acidic hydrolysis of the cyclization product (VII). — (PRATAP*, R.; RAGHUNANDAN, R.; MISHRA, A. K.; MAULIK, P. R.; GUPTA, V. P.; RAM, V. J.; Tetrahedron 66 (2010) 7, 1458-1464; Med. Process Chem. Div., Cent. Drug Res. Inst., Lucknow 226 001, India; Eng.) — Mischke 23- 093

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Fused 6,6,6,6-ring systemsQ 1130 DOI: 10.1002/chin.201023093

A Convenient Synthesis of Partially Reduced Benzo[c]phenanthrenes, Its Ketals and Ketones. — A variety of partially reduced benzophenanthrenes, e.g. (III), (V) and (VII), is prepared by base-catalyzed cyclization of the corresponding dihydrobenzo-chromenonecarbonitriles with cyclic ketones. The cyclization with cyclohexanedione is not successful, but the corresponding monoketal (VI) reacts smoothly. The carbonyl group is then released by acidic hydrolysis of the cyclization product (VII). — (PRATAP*, R.; RAGHUNANDAN, R.; MISHRA, A. K.; MAULIK, P. R.; GUPTA, V. P.; RAM, V. J.; Tetrahedron 66 (2010) 7, 1458-1464; Med. Process Chem. Div., Cent. Drug Res. Inst., Lucknow 226 001, India; Eng.) — Mischke

23- 093

ChemInform 2010, 41, issue 23 © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

RESEARCHARTICLE LargescalecomparisonofQSAR … · 2020. 3. 19. · Boscet al. J Cheminform Page3of16 Dta preparation Compoundstructureswereextractedfromthedatabase inSMILESformatandusingRDKit(version2017_09_01)

RESEARCHARTICLE LargescalecomparisonofQSAR … · 2020. 3. 19. · Boscet al. J Cheminform Page3of16 Dta preparation Compoundstructureswereextractedfromthedatabase inSMILESformatandusingRDKit(version2017_09_01)

ChemDoodle Web Components: HTML5 toolkit for chemical graphics, interfaces… · 2017-04-10 · Burger. J Cheminform DOI 10.1186/s13321-015-0085-3 REVIEW ChemDoodle Web Components:

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Tablice-IR · 3600 3000 2600 2200 1800 1600 1400 1200 1000 600 3200 2800 2400 2000 Three bands. sometimes a fourth for ketals, and a fifth band for acetals.

Tablice-IR · 3600 3000 2600 2200 1800 1600 1400 1200 1000 600 3200 2800 2400 2000 Three bands. sometimes a fourth for ketals, and a fifth band for acetals.

The Royal Society of Chemistry · 2019. 12. 10. · 1 Supporting Information of “Sugar ketals as a platform molecule to overcome the limitation of converting biomass into green-hydrocarbons

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RESEARCHARTICLE Assessingtheinformationcontent ......Rodríguez‑Pérezet al. J Cheminform Page6of14 whichyieldedmedianMCCvaluesof0.67(IFP_85) and0.63(EFCP_folded).us,inhibitorswithbinding

RESEARCHARTICLE Assessingtheinformationcontent ......Rodríguez‑Pérezet al. J Cheminform Page6of14 whichyieldedmedianMCCvaluesof0.67(IFP_85) and0.63(EFCP_folded).us,inhibitorswithbinding

QSAR DataBank repository: open and linked qualitative and … · 2017. 8. 29. · Ruusmann et al. J Cheminform DOI 10.1186/s13321-015-0082-6 DATABASE QSAR DataBank repository: open

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ZK éégg - Virginia Tech€¦ · Scheme 2.2 Mechanistic scheme of acid catalyzed ketal hydrolysis..... 48 Scheme 2.3 Generalized structure of 2,2,2—trif1uoroethyl ketals..... 49

ZK éégg - Virginia Tech€¦ · Scheme 2.2 Mechanistic scheme of acid catalyzed ketal hydrolysis..... 48 Scheme 2.3 Generalized structure of 2,2,2—trif1uoroethyl ketals..... 49

Accuracy enhancement in the estimation of molecular ......Chung and Park J Cheminform DOI 10.1186/s13321-015-0106-2 RESEARCH ARTICLE Accuracy enhancement in the estimation of molecular

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in of Mster Sciencecollectionscanada.gc.ca/obj/s4/f2/dsk3/ftp05/MQ63276.pdf · 2005. 2. 12. · Abstract A literature survey on the syntheses of phenanthrenes is reviewed. These syntheses

in of Mster Sciencecollectionscanada.gc.ca/obj/s4/f2/dsk3/ftp05/MQ63276.pdf · 2005. 2. 12. · Abstract A literature survey on the syntheses of phenanthrenes is reviewed. These syntheses

PubChem atom environments...Hähnke et al. J Cheminform DOI 10.1186/s13321-015-0076-4 RESEARCH ARTICLE PubChem atom environments Volker D Hähnke, Evan E Bolton* and Stephen H Bryant

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Open Access C S :kextractionkandjre-use(ability)k ... · Nguyenjet al. J Cheminform Pagek2kofk9 forthegenerationofcalculatedinformationandidenti-ers.AlthoughtherearesomealternativestoChemDraw,

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Figure 7.16 Acetals and ketals can be formed from hemiacetals and hemiketals, respectively.

Figure 7.16 Acetals and ketals can be formed from hemiacetals and hemiketals, respectively.

ChemInform RxnFinder

ChemInform RxnFinder

METHODOLOGY Molecularstructuresenumeration and ......Koch et al. J Cheminform Page5of17 changing4bonds,sinceweaimtondminimaltransfor - mations.Letuscall a 13 and a 24 thetwofixedbonds,with

METHODOLOGY Molecularstructuresenumeration and ......Koch et al. J Cheminform Page5of17 changing4bonds,sinceweaimtondminimaltransfor - mations.Letuscall a 13 and a 24 thetwofixedbonds,with