Reaxys使用方法

1、November 27, 2021Reaxys介介紹紹和培和培訓(xùn)訓(xùn)Yapeng Zhang Ph.D.November 27, 2021 Slide 2 1. Elsevier 2. 什么是Reaxys 3. Reaxys的功能舉例 4 問答目目錄錄November 27, 2021 Slide 31. ElsevierElsevier契合用戶研發(fā)流程的產(chǎn)品線November 27, 2021 Slide 5 1. Elsevier 2. 什么是Reaxys 3. Reaxys的功能舉例 4 問答目目錄錄November 27, 2021 Slide 6 34.0 Million Reacti

2、ons 47.0 Million Substances 19.4 Million Citations 16,000 Periodicals What exactly is Reaxys為為化學(xué)研究提供必需的研化學(xué)研究提供必需的研發(fā)發(fā)信息信息 (1)Reaxys所提供信息的拓展 收錄范圍大大擴(kuò)展與化學(xué)相關(guān)的核心的400多種期刊全面覆蓋化學(xué)各個領(lǐng)域的16,000種相關(guān)期刊，書籍等。 收錄了約5億條相關(guān)信息 覆蓋了幾乎所有與合成相關(guān)的資料収録対象大幅擴(kuò)大期刊約16,000種期刊，包括各個領(lǐng)域的生命科學(xué)，工程，藥理學(xué)，環(huán)境科學(xué)書籍，學(xué)會文摘等*支持定向搜索標(biāo)題，摘要，關(guān)鍵字模式，已加入“Literat

3、ure”的內(nèi)容， 并可以從結(jié)構(gòu)式對相關(guān)文獻(xiàn)進(jìn)行搜索。Reaxys是什么？是什么？Slide 8One Recordacross time, documents and publishersNovember 27, 2021 Slide 9 1. Elsevier 2. 什么是Reaxys 3. Reaxys的功能舉例 4 問答目目錄錄3.1 反反應(yīng)應(yīng)的的檢檢索索 November 27, 2021 Slide 10Change Structure Editor Easily3.1.1 完成一次反完成一次反應(yīng)檢應(yīng)檢索索November 27, 2021 Slide 11November 27,

4、2021 Slide 12Analysis ViewNovember 27, 2021 Slide 133.1.2 Substructure FilterNovember 27, 2021 Slide 14The reactions: deprotection November 27, 2021 Slide 15Substructure FilterNovember 27, 2021 Slide 16Starting Materials & excludeNovember 27, 2021 Slide 17Results:November 27, 2021 Slide 183.1.3

5、關(guān)心基關(guān)心基團(tuán)變團(tuán)變化的模糊化的模糊檢檢索索 Atom Mapping FunctionNovember 27, 2021 Slide 19G: Any GroupNovember 27, 2021 Slide 20Atom Mapping is effective to the atoms only not groupsNovember 27, 2021 Slide 21November 27, 2021 Slide 22ResultsNovember 27, 2021 Slide 233.1.4 鎖鎖定反定反應(yīng)應(yīng)于一個于一個鍵鍵上上 Make Bond as Reaction Center

6、Building C-C bondNovember 27, 2021 Slide 24November 27, 2021 Slide 25Make and BreakNovember 27, 2021 Slide 26Reaction TypeNovember 27, 2021 Slide 283.1.5 遇到互遇到互變變異構(gòu)體異構(gòu)體時時 In tautomersNovember 27, 2021 Slide 29November 27, 2021 Slide 3013 reactionsComparisonNovember 27, 2021 Slide 318 reactionsNovemb

7、er 27, 2021 Slide 32NHO3.1.6 利用新利用新Reaxys定制合成定制合成計(jì)計(jì)劃劃 (Synthesis Plan)November 27, 2021 Slide 33手手動動生成合成生成合成計(jì)計(jì)劃劃(Manually)November 27, 2021 Slide 34手手動動將反將反應(yīng)應(yīng)添加至合成添加至合成計(jì)計(jì)劃中劃中November 27, 2021 Slide 35手手動動延延續(xù)續(xù)合成合成計(jì)計(jì)劃劃November 27, 2021 Slide 36將新的方程式添加至合成將新的方程式添加至合成計(jì)計(jì)劃中劃中November 27, 2021 Slide 37亦可亦可

8、繼續(xù)繼續(xù)添加直至完成添加直至完成November 27, 2021 Slide 38添加新的方程式添加新的方程式November 27, 2021 Slide 39完成最完成最終終合成合成計(jì)計(jì)劃劃November 27, 2021 Slide 40當(dāng)完成合成當(dāng)完成合成計(jì)計(jì)劃制定劃制定時時，我，我們還們還可以可以November 27, 2021 Slide 41根據(jù)反根據(jù)反應(yīng)應(yīng)步步驟驟數(shù)字?jǐn)?shù)字查詢查詢相相對應(yīng)對應(yīng)的文獻(xiàn)的文獻(xiàn)November 27, 2021 Slide 42路路線線所涉文獻(xiàn)所涉文獻(xiàn)November 27, 2021 Slide 43查查看文獻(xiàn)中看文獻(xiàn)中實(shí)驗(yàn)實(shí)驗(yàn)操作步操作步驟驟

9、November 27, 2021 Slide 44獲獲取全文下取全文下載載跳跳轉(zhuǎn)鏈轉(zhuǎn)鏈接接November 27, 2021 Slide 45期刊自期刊自動動跳跳轉(zhuǎn)鏈轉(zhuǎn)鏈接接November 27, 2021 Slide 46專專利全文跳利全文跳轉(zhuǎn)鏈轉(zhuǎn)鏈接接WO2006/136442 A1, 2006, page:37-38November 27, 2021 Slide 47Patent FulltextNovember 27, 2021 Slide 48Patent FulltextNovember 27, 2021 Slide 49Download FulltextNovember 27

10、, 2021 Slide 50保存、保存、導(dǎo)導(dǎo)出或?qū)⒑铣沙龌驅(qū)⒑铣捎?jì)計(jì)劃添加至劃添加至Reaxys報(bào)報(bào)告中告中November 27, 2021 Slide 51November 27, 2021 Slide 523.2 物物質(zhì)檢質(zhì)檢索索 模糊物模糊物質(zhì)檢質(zhì)檢索索1. Pyridin with only one X substitute2. The position of X was not certainNovember 27, 2021 Slide 53Only one X substituted. 411 substancesNovember 27, 2021 Slide 54Metho

11、d IMethod IINovember 27, 2021 Slide 55November 27, 2021 Slide 56Attachment PointNovember 27, 2021 Slide 57R-groupR-logicOnly one X substituted. 411 substancesNovember 27, 2021 Slide 583.2 物物質(zhì)檢質(zhì)檢索索 Substance and PropertiesNovember 27, 2021 Slide 59November 27, 2021 Slide 60SirolimusNovember 27, 2021

12、Slide 61ResultsNovember 27, 2021 Slide 62Single StructureMixtureNovember 27, 2021 Slide 63November 27, 2021 Slide 64November 27, 2021 Slide 65November 27, 2021 Slide 66November 27, 2021 Slide 67IdentificationNovember 27, 2021 Slide 68November 27, 2021 Slide 69November 27, 2021 Slide 70November 27, 2

13、021 Slide 71November 27, 2021 Slide 72November 27, 2021 Slide 73November 27, 2021 Slide 74November 27, 2021 Slide 75November 27, 2021 Slide 76November 27, 2021 Slide 77November 27, 2021 Slide 78November 27, 2021 Slide 79November 27, 2021 Slide 80Filter - 2012November 27, 2021 Slide 81November 27, 20

14、21 Slide 82November 27, 2021 Slide 83November 27, 2021 Slide 84November 27, 2021 Slide 85126 substances out of 1063 citationsNovember 27, 2021 Slide 863.3.1 從物從物質(zhì)結(jié)質(zhì)結(jié)構(gòu)到文獻(xiàn)構(gòu)到文獻(xiàn)November 27, 2021 Slide 87輸入結(jié)構(gòu)式選擇LiteratureNovember 27, 2021 Slide 88結(jié)結(jié)果果 （ （83個）個）3.3.2 從關(guān)從關(guān)鍵詞鍵詞到文獻(xiàn)到文獻(xiàn)November 27, 2021 Slide 89November 27, 2021 Slide 90PKC inhibitor輸輸入所入所檢檢關(guān)關(guān)鍵詞鍵詞點(diǎn)點(diǎn)擊檢擊檢索索November 27, 2021 Slide 91結(jié)結(jié)果（果（5884） ）November 27, 2021