Instruction for Reaxys database

Transcription

1 Instruction for Reaxys database Reaxys database allow for easy literature search in the area of chemistry, biology and related Literature search can be performed on the independent ways: - literature; - substance, names & formulas; - reaction (additionally can be used application Synthesis Plans). In further parts of the instruction: -Fields circled with a blue circle indicates the selection, only to draw your attention; -blue circle with an arrow means the place in which you should click the mouse to complete the next step.

2 Literature Search

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4 After pressing the previously selected window open the following field in which, depending on your needs, you can make the search.

5 For example, we will search for the author name anslyn. When the data were introduced we can start searching by pressing the box SEARCH LITERATURE

6 When the search was finished, we get the results in the following form.

7 If the number of responses received is too large, you can repeat the search for author name anslyn and at the same time limit it to articles only and specific journal e.g:journal of the american chemical society When the data were introduced we can start searching by pressing the box SEARCH LITERATURE

8 When the search was finished, we get lower numer of the results. All of the results can be seen more precisely. For this purpose, use the red extensions in every citation.

9 Here you can see the effect when you press the "Title / Abstract"

10 If the computer on which you are working has the access to the electronic version of the publication, you can directly edit the article. To do this click the "Full text"

11 Then you need either to wait, or press the red DOI number

12 Substances, Names & Formulas Search

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14 After you press the Substances, Names & Formulas the following window will open. During this search is necessary to draw compound. To draw we use drawing programme (MarvinSketch).

15 When you open the programme you get the following window in which you can draw interesting compound.

16 For example, we will try to find synthesis of Oppolzer Sultam. After drawing the substance, press the "Transfer Query" button in the bottom left-hand corner this will export structure to the main page.

17 The main page after importing the data. If everything is correct you can start searching the database, press the SEARCH SUBSTANCES button.

18 Like earlier the programme will display the search results that you can browse and make their limited, if you want.

19 If the number of responses received is too large, you can limit the search. For these purpose use the column on the left side titled "Filter by:"

20 For example, to limit the results to published only in recent years, ie Check the suitable boxes and press the "Limit to button

21 Thus, we obtained 16 compared to the previously obtained 197 citations.

22 To return to the main page and be able to make a new search, click the "Query"

23 Before you start a new search, clear the previously entered data by pressing the Clear Query

24 We also can search for the name of the substance.

25 For example, we will search for the term "methanol".

26 In addition to general search for Methanol, we can limit the search for e.g phisical properties. We would like to find the boiling point of the substance. To do this, we need to select the "Physical Data"

27 Press button Physical Data. The new window will open. If you can not find proper parameters, press buton more.

28 The new box will open, select parameters you are interested in. Here was selected "boiling point. Then press Limit to.

29 When the search was finished, we get the following page layout. The results we can open by pressing view all buton.

30 We obtain a table with data, supplemented by a bibliography.

31 We search another keyword "menthol". Now, we can start the search.

32 When the search is finished, we get the following page layout. In additional column the available data for particular molecule are placed. We can edit the interesting data by pressing on it.

33 We choose parameter we are interested in.

34 We obtain a table with data, supplemented by a bibliography.

35 Reactions

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37 A search is similar to the search through the structure. By using "Marvin Sketch" program you draw reaction you are interested in. Then start the search. See the above described search through the structure.

38 Another function useful when planning a synthesis is an application "Synthesis Plans"

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40 In order to start determining a new task, click the "New".

41 Then open the drawing program

42 As before, draw the molecule the synthetic route you are looking for. And then, export all to the Reaxys database.

43 When you import the data start searching the database.

44 We get a list of results. After seeing the results and determine which of them are suitable for you press the button "Add selected". This reaction will be transferred to the summary window at the top of the page.

45 Then, in the summary window, press the button Synthesize. That will allow to start searching the synthesis of the new substance in your synthetic pathway.

46 Select Manually. This will start the searching.

47 You will get a list of responses. The response you are interested in add by pressing the "Add selected"

48 When we believe that the starting material is good enought and the resulting synthetic pathway is suitable for us we could save the resulting data in PDF format. To do this, press the EXPORT field.

49 We accept our decision to create a PDF file

50 Download and save the file.

51 The resulting PDF