反应信息

概述

反应数据集拥有7000万条反应数据，利用大数据分析、AI技术与化学及相关产业深度融合，充分挖掘公开文献、专利中的化学反应合成数据，提炼其中的有效信息并且梳理整合，成为全球屈指可数的化学反应查询平台。通过人机结合反应提取工程，反应量持续增长，为用户提供高质量反应信息。

数据结构及样例

JSON格式

{
    "数据ID": "xxxxxxxxx",
    "_id": ObjectId("695b224e4602f0800f1e4804"),
    "rxn": "CC(C)[Si](Oc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(CO)c1)(C(C)C)C(C)C>>CC(C)[Si](Oc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(CBr)c1)(C(C)C)C(C)C",
    "反应条件": {
        "试剂": [
            "phosphorus tribromide"
        ],
        "溶剂": [
            "dichloromethane"
        ],
        "催化剂": [ ]
    },
    "产率": [
        {
            "smiles": "CC(C)[Si](Oc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(CBr)c1)(C(C)C)C(C)C",
            "value": "83%"
        }
    ],
    "温度": [
        {
            "stage": "1",
            "original": "22 ℃"
        }
    ],
    "时间": [
        {
            "stage": "1",
            "original": "3.0 h"
        }
    ],
    "压力": [
        {
            "stage": "1",
            "original": ""
        }
    ],
    "参考文献": {
        "类型": "Article",
        "标题": "An Aqueous Conducting Redox‐Polymer‐Based Proton Battery that Can Withstand Rapid Constant‐Voltage Charging and Sub‐Zero Temperatures",
        "作者": [
            "Christian Strietzel",
            "Mia Sterby",
            "Hao Huang",
            "Maria Strømme",
            "Rikard Emanuelsson",
            "Martin Sjödin"
        ],
        "期刊": "Angewandte Chemie International Edition",
        "年份": "2020",
        "出版日期": "2020.6.8",
        "卷": "59",
        "期": "24",
        "页": "9631-9638",
        "doi": "10.1002/anie.202001191"
    }
}
}