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1 article(s) from Zubčić, Gabrijel

Ferrocenoyl-adenines: substituent effects on regioselective acylation

Mateja Toma,
Gabrijel Zubčić,
Jasmina Lapić,
Senka Djaković,
Davor Šakić and
Valerije Vrček

Beilstein J. Org. Chem. 2022, 18, 1270–1277, doi:10.3762/bjoc.18.133

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Scheme 1: Regioselective ferrocenoylation of the adenine anion 1 and its derivatives 2–6 substituted at the N⁶...

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Figure 1: ¹H NMR spectrum (downfield region) of the reaction mixture (adenine anion 1 and FcCOCl) in DMF, tak...

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Figure 2: HOMO map of space distribution (left) of adenine anion (1) at the B3LYP/6-31+G(d) level of theory (...

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Figure 3: Dependence of N9-isomer product ratio (%), in the reaction between FcCOCl and adenine anions 1–6, o...

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Figure 4: B3LYP/6-31+G(d)/SDD optimized transition state structures for N7- (6-TS_N7) and N9-ferrocenoylation (...

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Figure 5: Relation between the Gibbs free energy barrier (ΔG^‡) for the N7-ferrocenoylation of C6-substituted ...

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Published 19 Sep 2022

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