Using a large data set (640k synthetic routes and 2.4m reactions) compiled from six popular journals between 2000 and 2020, trends are identified and discussed for topics including journal publishing rates, availability of machine-readable data, characteristics of synthetic route targets and starting materials (molecular weight, complexity, elemental composition, chirality, and ring systems), and the reaction classes utilized in these synthetic routes. We provide evidence of an ongoing shift away from large natural product or “total” syntheses among the academic data and a gradual increase in the size and complexity of industrial/medicinal target molecules. The reaction class analyses show key differences between the academic and industrial sectors and how a small number of reaction types have proliferated in the latter, giving rise to a possible lack of target diversity. Overall, there is evidence to support an ongoing increase in synthetic efficiency whereby, as a community, we are synthesizing larger, more-complex molecules from smaller, simpler starting materials, in fewer steps and with diminished reliance on nonproductive reaction types such as protecting group manipulations, redox reactions, and functional group interconversions.

中文翻译：

---

已发表的合成路线、路线靶标和反应类型分析 （2000–2020）


使用从 2000 年至 2020 年间从 6 种热门期刊汇编的大型数据集（640k 合成路线和 2.4m 反应），确定并讨论了趋势，主题包括期刊出版率、机器可读数据的可用性、合成路线靶标和起始材料的特性（分子量、复杂性、元素组成、手性和环系统），以及这些合成路线中使用的反应类别。我们提供的证据表明，学术数据中正在从大型天然产物或“总”合成转变，以及工业/药用靶分子的大小和复杂性逐渐增加。反应类别分析显示了学术部门和工业部门之间的关键差异，以及少量反应类型如何在后者中激增，从而导致可能缺乏靶标多样性。总体而言，有证据表明合成效率的持续提高，因此，作为一个社区，我们正在以更少的步骤从更小、更简单的起始材料合成更大、更复杂的分子，并减少对非生产性反应类型的依赖，例如保护基团操作、氧化还原反应和官能团相互转化。