[1] [1] AKHTAR J, KHAN A A, ALI Z, et al. Structure-activity relationship (SAR) study and design strategies of nitrogen-containing heterocyclic moieties for their anticancer activities［J］. European Journal of Medicinal Chemistry, 2017, 125: 143-189.

[2] [2] DONG Y, YANG J, ZHANG H, et al. Cobalt-catalyzed cycloamination: synthesis and photophysical properties of polycyclic N-heterocycles［J］. Organic Letters, 2020, 22(13): 5151-5156.

[3] [3] CANDEIAS N R, BRANCO L C, GOIS P M P, et al. More sustainable approaches for the synthesis of N-based heterocycles［J］. Chemical Reviews, 2009, 109(6): 2703-2802.

[4] [4] GRIBBLE G. Book review of bioactive heterocycles Ⅳ. topics in heterocyclic chemistry, 10［J］. Journal of the American Chemical Society, 2008, 130(19): 6299-6300.

[5] [5] MOHANA ROOPAN S, SOMPALLE R. Synthetic chemistry of pyrimidines and fused pyrimidines: a review［J］. Synthetic Communications, 2016, 46(8): 645-672.

[6] [6] WEN Z, PENG J, TUTTLE P R, et al. Electron-mediated aminyl and iminyl radicals from C5 azido-modified pyrimidine nucleosides augment radiation damage to cancer cells［J］. Organic Letters, 2018, 20(23): 7400-7404.

[7] [7] PARENT A A, GUNTHER J R, KATZENELLENBOGEN J A. Blocking estrogen signaling after the hormone: pyrimidine-core inhibitors of estrogen receptor-coactivator binding［J］. Journal of Medicinal Chemistry, 2008, 51(20): 6512-6530.

[8] [8] WANG Y, WANG Z, LIU J C, et al. Discovery of novel HBV capsid assembly modulators by structure-based virtual screening and bioassays［J］. Bioorganic & Medicinal Chemistry, 2021, 36: 116096.

[9] [9] VERBITSKIY E, RUSINOV G, CHUPAKHIN O, et al. Recent advances in direct C-H functionalization of pyrimidines［J］. Synthesis, 2018, 50(2): 193-210.

[10] [10] YANG X L, FENG Z, ZHAO J, et al. Pyrimidine-based mononuclear and dinuclear iridium(Ⅲ) complexes for high performance organic light-emitting diodes［J］. ACS Applied Materials & Interfaces, 2016, 8(49): 33874-33887.

[11] [11] LI Y, SHEN M, ZHANG Z, et al. Design, synthesis, and biological evaluation of 3-(1H-1, 2, 3-triazol-1-yl)benzamide derivatives as Potent Pan Bcr-Abl inhibitors including the threonine(315)→isoleucine(315) mutant［J］. Journal of Medicinal Chemistry, 2012, 55(22): 10033-10046.

[12] [12] MOUSAVI M, HERAVI M M, TAJABADI J. One-pot nitrodebromination and methyl bi-functionalization of 5-bromo 6-methylpyrimidines: a unique simultaneous transformation［J］. Monatshefte Für Chemie-Chemical Monthly, 2020, 151(9): 1395-1401.

[13] [13] JIN B, GALLOU F, REILLY J, et al. ppm Pd-catalyzed, Cu-free Sonogashira couplings in water using commercially available catalyst precursors［J］. Chemical Science, 2019, 10(12): 3481-3485.

[14] [14] VERBITSKIY E V, CHEPRAKOVA E M, ZHILINA E F, et al. Microwave-assisted palladium-catalyzed C-C coupling versus nucleophilic aromatic substitution of hydrogen (S N H) in 5-bromopyrimidine by action of bithiophene and its analogues［J］. Tetrahedron, 2013, 69(25): 5164-5172.

[15] [15] CIVALLERI B, ZICOVICH-WILSON C M, VALENZANO L, et al. B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals［J］. CrystEngComm, 2008, 10(4): 405-410.

[16] [16] TIRADO-RIVES J, JORGENSEN W L. Performance of B3LYP density functional methods for a large set of organic molecules［J］. Journal of Chemical Theory and Computation, 2008, 4(2): 297-306.

[17] [17] ZURAWSKI A, MAI M, BAUMANN D, et al. Homoleptic imidazolate frameworks ［Sr(1-x)Eu(x)(Im)2］: hybrid materials with efficient and tuneable luminescence［J］. Chemical Communications (Cambridge, England), 2011, 47(1): 496-498.

[18] [18] SINGH J S. IR and Raman spectra with Gaussian-09 molecular analysis of some other parameters and vibrational spectra of 5-fluoro-uracil［J］. Research on Chemical Intermediates, 2020, 46(5): 2457-2479.

[19] [19] ZAYED E M, ZAYED M A, ABD EL SALAM H A, et al. Synthesis, structural characterization, density functional theory (B3LYP) calculations, thermal behaviour, docking and antimicrobial activity of 4-amino-5-(heptadec-8-en-1-yl)-4H-1, 2, 4-triazole-3-thiol and its metal chelates［J］. Applied Organometallic Chemistry, 2018, 32(12): e4535.

[20] [20] CHOTAI A. Data generation and configuration for Spartan series FPGAs［J］. Journal of Artificial Societies & Social Simulation, 2012, 15(4): 2.