ACS / Proprietary and Confidential / Do Not Distribute 钱欣博士 cqian@acs-i.org 如何通过SciFinder检索科技信息 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 提纲 无机材料检索 合金,多氧簇金属化合物 金属有机框架(MOF)化合物 聚合物检索 名称,CAS号检索 分子式检索 结构式检索 COF化合物检索 反应案例分享 文献检索 物质的纯化 物质的移除 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 检索要求: 如何检索这种带上下标和冒号的金属化合物。如CaAlSiN3:Eu2+或者CaAlSiN:Eu(各元素的下标参量任意),Eu有可能有上标也可能没有,冒号处也可能是"/",比如CaAl2Si10N16:Eu2+ 检索包含此类物质的专利信息 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 分子式检索:Hill排序规则 ACS / Proprietary and Confidential / Do Not Distribute
物质结果集:可以按照分子式将物质按照组分比例排序 ACS / Proprietary and Confidential / Do Not Distribute
按照Analyze by Substance Role筛选物质 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 由物质获得文献 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 将文献结果集限定为专利 ACS / Proprietary and Confidential / Do Not Distribute
通过专利的被引用次数找到技术领域内的核心专利 ACS / Proprietary and Confidential / Do Not Distribute
通过Analyze by Index Term获得专利中关键技术点 ACS / Proprietary and Confidential / Do Not Distribute
通过Analyze by CA Section Title获得专利技术分布 ACS / Proprietary and Confidential / Do Not Distribute
使用Categorize精准定位目标文献 ACS / Proprietary and Confidential / Do Not Distribute
专利信息详情(包括专利法律状态,优先权信息等 ) ACS / Proprietary and Confidential / Do Not Distribute
通过SciFinder的人工标引信息快速获得重要的技术术语/物质信息 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 合金的检索:钴铁锰合金 用“.”将不同组分隔开 使用排序功能(可按照第一个组分的成分排序提高检索效率) ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 多氧簇金属:七钼酸铵 H4 N . 1/6 Mo7 O24 ACS / Proprietary and Confidential / Do Not Distribute
如何查找MOF化合物,以Cu-BTC为例 ACS / Proprietary and Confidential / Do Not Distribute
方法1:若已知物质的CAS号码,物质名称,使用Substance Identifier ACS / Proprietary and Confidential / Do Not Distribute
方法2:已知MOF化合物单元分子式,可以使用分子式检索 ACS / Proprietary and Confidential / Do Not Distribute
方法3:已知配合物配体,可以先结构检索配体,然后获得相关配合物 注:此种方法可能结果噪音较多 ACS / Proprietary and Confidential / Do Not Distribute
在结果集中通过Analyze by Elements,选择Cu ACS / Proprietary and Confidential / Do Not Distribute
结果会有噪音,可以通过结构等进一步进行筛选 ACS / Proprietary and Confidential / Do Not Distribute
方法4:已知MOF化合物单元结构式,可以绘制完整结构进行检索 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute SciFinder中的物质记录 获得其文献、反应和供应商信息 点击CAS号,获得物质信息详情 在SciFinder中,鼠标滑过物质, 即可打开物质标准菜单, 获得与物质相关的所有内容 ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute SciFinder中的物质记录 ACS / Proprietary and Confidential / Do Not Distribute
实验数据与实验谱图
提纲 聚合物结构检索 聚合物分子式检索 如何查找COF化合物 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
聚合物检索——结构式检索 案例:检索以下结构作为聚合单体的均聚物信息并对检索结果进行筛选 R1 = alkyl chains CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
CAS is a division of the American Chemical Society CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
CAS is a division of the American Chemical Society CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
通过化学结构限定检索结果 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
CAS is a division of the American Chemical Society CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
CAS is a division of the American Chemical Society CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
提纲 聚合物结构检索 聚合物分子式检索 如何查找COF化合物 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
聚合物检索——分子式检索 聚合物的分子式表现形式 分子式中带有括号 括号外为n,嵌段聚合物(有首尾端或无首尾段都可) 有端基嵌段聚合物分子式:(C6H10O2)n C3H4O2 无端基嵌段聚合物分子式:(C12 H12 O4)n 括号外为x,对于均聚物和共聚物,将以单体进行标引,聚合度不影响标引 共聚物:(C2 H4 . C2 F4)x 均聚物:(C2H4)x CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
(C2 H4 . C2 F4)x——SciFinder检索结果 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
(C12 H12 O4)n——SciFinder检索结果 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
用结构限定 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
提纲 聚合物结构检索 聚合物分子式检索 如何查找COF化合物 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
CAS is a division of the American Chemical Society CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
查找COF化合物 CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
CAS is a division of the American Chemical Society CAS is a division of the American Chemical Society. Copyright 2016 American Chemical Society. All rights reserved.
查找COF化合物
ACS / Proprietary and Confidential / Do Not Distribute 提纲 反应案例分享: 溴代杂芳环与炔烃的 Sonogashira偶联反应检索 胺类化合物脱保护反应 片段结构的化学选择性反应 检索某物质作为试剂的反应 ACS / Proprietary and Confidential / Do Not Distribute
溴代杂芳环与炔烃的 Sonogashira偶联反应检索 检索过程:(1)绘制反应结构式,杂环用-X中的Hy表示即可 ACS / Proprietary and Confidential / Do Not Distribute
在反应结果集中选择group by transformation ACS / Proprietary and Confidential / Do Not Distribute
根据需求,选择相应的反应类型(如,aryl-alkyne sonogashira偶联) ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 获得全面、准确的反应(3910条) ACS / Proprietary and Confidential / Do Not Distribute
如何检索N上有任意取代基的苯胺的一步脱除,生成苯胺的反应? ACS / Proprietary and Confidential / Do Not Distribute
获得反应,并限定反应步骤为1步反应。得到如下反应结果 ACS / Proprietary and Confidential / Do Not Distribute
点击Group by Transformation, 查看这些反应所涉及的反应类型分类,并选择所需的反应。如下图所示 ACS / Proprietary and Confidential / Do Not Distribute
反应检索问题如下: 检索要求: 反应物中含有羧基和酰胺基团; 反应物种的羧基被还原为产物中的羟基; 反应物中的酰胺基在反应后没有发生变化。 分析: 此检索要求属于片段结构的化学选择性反应检索。
使用标亮的工具,绘制如下反应式,进行亚结构反应检索
1. 点击高级检索; 2. 点击不参与反应官能团; 3. 选择酰胺amide。
点击Group by中的Transformation,显示反应类型
选择羧酸还原为醇的这类反应
最终,获得全面精准的片段结构 的化学选择性反应结果集
ACS / Proprietary and Confidential / Do Not Distribute 检索使用Na2S2O4作为试剂的反应 分子式检索无机物,要按照Hill排序规则检索。具体为,不含碳化合物,按照元素符号字母顺序排序。含碳化合物, 碳在前,氢紧随其后,其他元素按照字母排序。 无机含氧酸盐,按照多组分物质检索(比如Na2S2O4,就按照相应的酸和钠的混合物标引,阳离子有多少个阳离子,阴离子部分用H补齐),所用分子式为: H2O4S2.2Na ACS / Proprietary and Confidential / Do Not Distribute
ACS / Proprietary and Confidential / Do Not Distribute 提纲 Chemdraw与SciFinder兼容问题 查找物质谱图 利用SciPlanner实现反应路线设计 反应案例分享: 溴代杂芳环与炔烃的 Sonogashira偶联反应检索 同位素化学物质反应检索 胺类化合物脱保护反应 手性构型翻转拆分反应 片段结构的化学选择性反应 文献检索 物质的纯化 物质的移除 ACS / Proprietary and Confidential / Do Not Distribute
查找纯化双氧水(7722-84-1)的文献
噪音信息
巧用CAS Role
巧用CAS Role
巧用CAS Role
巧用CAS Role 浏览记录,判断是否符合要求
巧用CAS Role 都是需要的文献
ACS / Proprietary and Confidential / Do Not Distribute 提纲 Chemdraw与SciFinder兼容问题 查找物质谱图 利用SciPlanner实现反应路线设计 反应案例分享: 溴代杂芳环与炔烃的 Sonogashira偶联反应检索 同位素化学物质反应检索 胺类化合物脱保护反应 手性构型翻转拆分反应 片段结构的化学选择性反应 文献检索 物质的纯化 物质的移除 ACS / Proprietary and Confidential / Do Not Distribute
去除N-甲基甲酰胺(123-39-7)
善用Categorize去除噪音信息 需要的文献
善用Categorize去除噪音信息 噪音信息更多,如何去除?
善用Categorize去除噪音信息
善用Categorize去除噪音信息
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