In drug discovery, traditional automated library synthesis has typically involved single-step synthetic procedures targeting a single vector of interest. However, achieving greater structural diversity requires exploring multistep and multivectorial approaches. These methodologies enable the preparation of compounds with varying structures in a single experiment. Here, we present a novel method for multistep library synthesis in continuous flow. This approach offers unique opportunities, such as exploring linkers between two defined vectors or rapidly mapping synergistic structure-activity relationships (SARs) by concurrently exploring multiple vectors. Our method incorporates up to eight different synthetic methodologies, including established chemistries, metal-catalyzed transformations, and modern metallaphotoredox couplings. This broad range of synthetic methodologies ensures a high level of diversity in the compounds generated, providing a powerful tool to accelerate the exploration of the chemical space in drug discovery programs.

中文翻译：

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flow 中的多步骤和多矢量装配线库综合


在药物发现中，传统的自动化文库合成通常涉及针对单个目标载体的单步合成程序。然而，实现更大的结构多样性需要探索多步骤和多向量方法。这些方法能够在单个实验中制备具有不同结构的化合物。在这里，我们提出了一种在连续流中进行多步文库合成的新方法。这种方法提供了独特的机会，例如探索两个定义向量之间的连接子，或通过同时探索多个向量来快速映射协同构效关系 （SAR）。我们的方法结合了多达八种不同的合成方法，包括已建立的化学、金属催化转化和现代金属光氧化还原偶联。这种广泛的合成方法确保了所生成化合物的高度多样性，为加速药物发现计划中化学空间的探索提供了强大的工具。