The results from models trained under 95 different conditions demonstrated their reliability in accurately recommending conditions to facilitate reaction proceed at a acceptable yield, especially as model performance improved further. Given the complex structure-yield relationship (SYR) and the cost of data collection via HTE, we decided not to generate more data to enhance model performance. Inspired by the concepts of knowledge embedding, we proposed to achieve our goal through model development embedded with intermediate knowledge, and selected six conditions to exemplify the method presented as follows.