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Beyond Five- and Six-Membered Ring Intermediates: Transient Seven-Membered Cyclic Hemiacetals for Organocatalyzed Atroposelective Dynamic Kinetic Resolutions

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Zenodo2024-11-29 更新2026-05-26 收录
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DFT_optimized structures accompanying the study "Beyond Five- and Six-Membered Ring Intermediates: Transient Seven-Membered Cyclic Hemiacetals for Organocatalyzed Atroposelective Dynamic Kinetic Resolutions", where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...

配套于研究论文《超越五元环与六元环中间体:用于有机催化阻转选择性动态动力学拆分的瞬态七元环半缩醛》的DFT(密度泛函理论,Density Functional Theory)优化结构;若存在构象异构体,其命名始终按照吉布斯自由能由低到高的升序排列,编号从c1(有时会省略)、c2、c3……依次顺延。

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2024-05-29
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