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. 2020 Sep 22;11:4792. doi: 10.1038/s41467-020-18554-x

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© The Author(s) 2020, corrected publication 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 1 — The Cu(II)–ATP complex (Cu²⁺·ATP) is composed of copper(II) trifluoromethanesulfonate (Cu(OTf)₂) and ATP. The coordination structure of Cu²⁺·ATP is supported by spectroscopic characterisations and theoretical calculations, in which Cu²⁺ ion binds to one nitrogen atom (N7) from adenine, one oxygen atom from β-phosphate, one oxygen atom from γ-phosphate and one trifluoromethanesulfonate anion (OTf^-) and simultaneously an intramolecular hydrogen bond is formed between a hydrogen atom from 6-amino and an oxygen atom from γ-phosphate. Typical Diels–Alder reactions of azachalcones (1a–h) and cyclopentadiene (2) are selected in this study, and the detailed reaction procedure is described in “Methods” section.