Reaxys使用方法

1、March 31, 2022Reaxys介介紹紹和培和培訓(xùn)訓(xùn)Yapeng Zhang Ph.D.March 31, 2022 Slide 2 1. Elsevier 2. 什么是Reaxys 3. Reaxys的功能舉例 4 問(wèn)答目目錄錄March 31, 2022 Slide 31. ElsevierElsevier契合用戶研發(fā)流程的產(chǎn)品線March 31, 2022 Slide 5 1. Elsevier 2. 什么是Reaxys 3. Reaxys的功能舉例 4 問(wèn)答目目錄錄March 31, 2022 Slide 6 34.0 Million Reactions 47.0 Millio

2、n 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(gè)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(gè)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(huì)文摘等*支持定向搜索標(biāo)題，摘要，關(guān)鍵字模式，已加入“Literature”的內(nèi)容， 并可以從結(jié)構(gòu)

3、式對(duì)相關(guān)文獻(xiàn)進(jìn)行搜索。Reaxys是什么？是什么？Slide 8One Recordacross time, documents and publishersMarch 31, 2022 Slide 9 1. Elsevier 2. 什么是Reaxys 3. Reaxys的功能舉例 4 問(wèn)答目目錄錄3.1 反反應(yīng)應(yīng)的的檢檢索索 March 31, 2022 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March 31, 2022 Slide 11March 31, 2022 Slide 12Analysis ViewM

4、arch 31, 2022 Slide 133.1.2 Substructure FilterMarch 31, 2022 Slide 14The reactions: deprotection March 31, 2022 Slide 15Substructure FilterMarch 31, 2022 Slide 16Starting Materials & excludeMarch 31, 2022 Slide 17Results:March 31, 2022 Slide 183.1.3 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 FunctionM

5、arch 31, 2022 Slide 19G: Any GroupMarch 31, 2022 Slide 20Atom Mapping is effective to the atoms only not groupsMarch 31, 2022 Slide 21March 31, 2022 Slide 22ResultsMarch 31, 2022 Slide 233.1.4 鎖鎖定反定反應(yīng)應(yīng)于一個(gè)于一個(gè)鍵鍵上上 Make Bond as Reaction CenterBuilding C-C bondMarch 31, 2022 Slide 24March 31, 2022 Slide

6、 25Make and BreakMarch 31, 2022 Slide 26Reaction TypeMarch 31, 2022 Slide 283.1.5 遇到互遇到互變變異構(gòu)體異構(gòu)體時(shí)時(shí) In tautomersMarch 31, 2022 Slide 29March 31, 2022 Slide 3013 reactionsComparisonMarch 31, 2022 Slide 318 reactionsMarch 31, 2022 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)March 31, 2022

7、 Slide 33手手動(dòng)動(dòng)生成合成生成合成計(jì)計(jì)劃劃(Manually)March 31, 2022 Slide 34手手動(dòng)動(dòng)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March 31, 2022 Slide 35手手動(dòng)動(dòng)延延續(xù)續(xù)合成合成計(jì)計(jì)劃劃March 31, 2022 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March 31, 2022 Slide 37亦可亦可繼續(xù)繼續(xù)添加直至完成添加直至完成March 31, 2022 Slide 38添加新的方程式添加新的方程式March 31, 2022 Slide 39完成最完成最終終合成合成計(jì)計(jì)劃劃March 3

8、1, 2022 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(shí)時(shí)，我，我們還們還可以可以March 31, 2022 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(duì)應(yīng)對(duì)應(yīng)的文獻(xiàn)的文獻(xiàn)March 31, 2022 Slide 42路路線線所涉文獻(xiàn)所涉文獻(xiàn)March 31, 2022 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March 31, 2022 Slide 44獲獲取全文下取全文下載載跳跳轉(zhuǎn)鏈轉(zhuǎn)鏈接接March 31, 2022 Slide 45期刊自期刊自動(dòng)動(dòng)跳跳轉(zhuǎn)鏈轉(zhuǎn)鏈接接March 31, 2022 Slide 46專專利全文跳利全文跳轉(zhuǎn)鏈

9、轉(zhuǎn)鏈接接WO2006/136442 A1, 2006, page:37-38March 31, 2022 Slide 47Patent FulltextMarch 31, 2022 Slide 48Patent FulltextMarch 31, 2022 Slide 49Download FulltextMarch 31, 2022 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March 31, 2022 Slide 51March 31, 2022 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 w

10、ith only one X substitute2. The position of X was not certainMarch 31, 2022 Slide 53Only one X substituted. 411 substancesMarch 31, 2022 Slide 54Method IMethod IIMarch 31, 2022 Slide 55March 31, 2022 Slide 56Attachment PointMarch 31, 2022 Slide 57R-groupR-logicOnly one X substituted. 411 substancesM

11、arch 31, 2022 Slide 583.2 物物質(zhì)檢質(zhì)檢索索 Substance and PropertiesMarch 31, 2022 Slide 59March 31, 2022 Slide 60SirolimusMarch 31, 2022 Slide 61ResultsMarch 31, 2022 Slide 62Single StructureMixtureMarch 31, 2022 Slide 63March 31, 2022 Slide 64March 31, 2022 Slide 65March 31, 2022 Slide 66March 31, 2022 Sli

12、de 67IdentificationMarch 31, 2022 Slide 68March 31, 2022 Slide 69March 31, 2022 Slide 70March 31, 2022 Slide 71March 31, 2022 Slide 72March 31, 2022 Slide 73March 31, 2022 Slide 74March 31, 2022 Slide 75March 31, 2022 Slide 76March 31, 2022 Slide 77March 31, 2022 Slide 78March 31, 2022 Slide 79March

13、 31, 2022 Slide 80Filter - 2012March 31, 2022 Slide 81March 31, 2022 Slide 82March 31, 2022 Slide 83March 31, 2022 Slide 84March 31, 2022 Slide 85126 substances out of 1063 citationsMarch 31, 2022 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)March 31, 2022 Slide 87輸入結(jié)構(gòu)式選擇LiteratureMarch 31, 2022 Slide 88結(jié)結(jié)果果 （ （83個(gè)）個(gè)）3.3.2 從關(guān)從關(guān)鍵詞鍵詞到文獻(xiàn)到文獻(xiàn)March 31, 2022 Slide 89March 31, 2022 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March 31, 2022 Slide 91結(jié)結(jié)果（果（5884） ）March 31, 2022 S