概述
主要内容为小分子化合物的反应信息,包括反应式,反应条件信息。≥500万条。
数据结构
{
"id": "ID",
"rxn": "反应式",
"condition": "反应条件",
"temperature": "温度",
"duration": "时间",
"ref": "参考资料"
}
数据样例
{
"id":"2",
"rxn":"CC(C)(C)C=O>>CC(C)(C)C(=O)O",
"condition":"solvent: water, reagent: dihydrogen peroxide, catalyst: Nafion NR50",
"temperature":"90 ℃",
"duration":"2.0 h",
"ref":"US20060167311A1"
}