阿哌沙班中间体合成工艺数据

阿哌沙班是位于全球销量前列的小分子药物之一。本数据可用于预测并推荐阿哌沙班中间产物1-(4-硝基苯基)-2-哌啶酮实验室制备和工业生产的最佳具体反应条件，以提高1-(4-硝基苯基)-2-哌啶酮的生成率，并缩短其工艺开发周期及降低成本。输入为反应条件范围及反应条件范围中抽取的部分以完成实验的具体反应条件及生成率；输出为整个反应条件范围中的最佳具体反应条件。具体反应条件信息包括：溶剂、试剂、溶剂当量、试剂当量、加料温度、反应温度等。Apixaban is one of the small-molecule drugs with top global sales volumes. This dataset can be used to predict and recommend the optimal specific reaction conditions for the laboratory preparation and industrial production of 1-(4-nitrophenyl)-2-piperidone, an intermediate of apixaban, so as to increase the yield of 1-(4-nitrophenyl)-2-piperidone, shorten the process development cycle, and reduce production costs. The inputs include the reaction condition ranges and the specific reaction conditions and corresponding yields of experiments sampled from these ranges; the output is the optimal specific reaction conditions within the entire reaction condition range. The specific reaction parameters include: solvent, reagent, solvent equivalent, reagent equivalent, feeding temperature, reaction temperature, etc.