Selecting any of the available projects in the left panel and clicking on the appropriate button will allow you to add reactions:
For reasons of integrity, it is not possible to delete reactions. However, clicking on the reaction name will allow you to ‘Edit the reaction’ and change the status (from open to closed).
You can find the list of reactions under the 'Reactions' tab:
Clicking on the Edit reaction button will display the reaction dialog in the edition mode. This dialog contains two tabs, Reaction and Project. From the reaction tab, there is a form to be filled by the user with the current values of the reaction: Name (mandatory), Short name, Description, Code, Categories, Status, Type, Optimization Type, Start, End, Invoicing and Responsible.
From the project tab, you can move the reaction to a different project. The current project will be highlighted in the tree. Selecting a different project in the tree displays a warning message to advise that the responsible user will be deleted. After clicking on OK, the reaction will be moved to the indicated project.
You can add a reaction scheme and upload some documents (general of bibliography) from the left tabbed menu:
In the History section, you can find a list of events through the lifecycle of the reaction. Each entry displays an informing message, the user who performed the action and the date:
Once you have created the reaction, you will be able to add experiments just by clicking on the reaction name and selecting the 'Add Experiment' option:
In the example below, we have created an experiment called ‘PMO_1’ in the ‘SnLi’ reaction of the ‘PM_Paralell’ project:
The next step is to add information about the experiment (reagents, products, amounts of reactants, solvents and products, reaction description, etc.):
You will find a toolbar 
to add participants, select experimental conditions (temperature, time, pressure, pH, etc.) , show/hide (reactants, solvents, and/or products), assign sources or create bottles.
Clicking on the 'Add Participant' button 
will allow you to add a participant to the experiment.
You can type the name (or at least three letters) of the desired compound (acronym, molecular formula, CAS Number, stock reference, supplier etc.) in order to search the database for that substance (this will be faster than drawing the molecule in the molecular sketcher, so we recommend you to attempt to find your reactants in the database in the first instance).
If the compound is included in the Database, a new dialog will be displayed to confirm the structure and select the label displayed in the reaction scheme. Clicking on the ‘Role’ scroll down menu will allow you to select the role of the new participant (reactant, solvent, or product). Check boxes will be available to include the new participant in the graphical reaction or in the arrow section.
Clicking on the 'Show more' hyperlink (at the bottom) will display the record in the compound Database:
Clicking on the Add button (top left corner) will add the participant to the experiment. Clicking on 'Add&Continue' will add the participant to the reaction scheme and will allow you to continue adding other participants:
You can load molecules in the .mol, .cdx, smile, etc., formats by following the menu 'File/Import File (or even drag & drop .mol and .cdx files directly into the sketcher window):
You can also copy and paste structures directly from ChemDraw to Mbook using the 'Copy As: MOL Text' (shortcut Alt+Shift+Ctrl+O) option.
Of course, you can draw molecular structures using the sketcher itself (useful if your compound is not present in the database) or just drag and drop .mol files into the sketcher window.
The ‘Move’ mode will allow you to move an atom or a bond just by clicking and dragging.
The Drawing mode (shortcut: Ctrl+D) will allow you to draw a carbon on your spectral window just by clicking and dragging on any empty field. Clicking on any existing atom will add an additional carbon. If you click on a single bond, you will get a double bond (clicking on a double bond will convert to a triple bond).
You can change the atom just by hovering the mouse over the atom and typing the applicable letter(s).
Mbook incorporates Marvin JS Sketcher. For further information about this program, please follow this link.
Once you have drawn the molecule, you can click on the ‘Add’ button to add the structure to the experiment graphic. You can also click on the ‘Search’ button to look for the molecular structure (or substructure) in the database.
If the compound is not in the Database, you can select the option to 'press here' to create a new compound:
The next step is to add the remaining reactants and solvent (THF) in the same way.
Clicking on the 'Add Conditions' button, will allow you to add the experimental conditions (after clicking the ‘Save’ button):
The next step is to add the product. If the structure of the compound is similar to any of the reagents, you can just select the 'Clone Participant' feature. The sketcher will then be launched with the structure of your reagent, so you will only need to add the necessary changes (a -SnMe3 instead of the -Br, in this case) and click on the search button. If the compound is present in the database, just select the product role and click on the 'Add' button to continue:
If the compound is not in the database, it will be added (you can include the IUPAC name) after having filled in the desired fields (internal code, description, acronym, etc.) and clicking on the 'Save button':
Clicking on the 'Properties' tab, will allow you to define different types of compounds (Resin, Enzyme, Solution and Supported reagent).
- Resin: If a compound checked as a Resin is added to an experiment, a column labelled ‘Loading (mmol/g)’ is added to the stoichiometric table.
- Enzyme: If a compound checked as an Enzyme is added to an experiment, a column labelled ‘Activity (U/g)’ is added to the stoichiometric table. No automatic calculations are performed for this participant (the amount used in the experiment must be manually added by the user).
- Supported reagent: If a compound checked as a Supported reagent is added to an experiment, a column labelled ‘Loading (wt%)’ is added to the stoichiometric table. No automatic calculations are performed for this participant (the amount used in the experiment must be added manually by the user).
- Solution: If a compound checked as a Solution is added to an experiment, the concentration column is automatically populated from the defined value in the compound.
The resulting structure will be added to the Products:
You can move the reactants from the arrow to the reaction section (and vice versa), just by dragging and dropping.
Once you have drawn the experiment reaction with all the relevant participants, you can select the applicable amounts of reagents and solvents in the stoichiometry table.
After inputting all the necessary information and formatting all the experimental procedures, the changes will be automatically saved:
You can create links in the experimental section to the participants (to parse information about weight/volume, mols and number of equivalents): just by highlighting the applicable text in the description and clicking on the 'Insert experiment participant' button:
In the case of reactants, the amount and number of moles will be synchronized in both the table and the description. The same is true for the volume of solvents and for the amount, number of moles, and yield of the products:
The compound names in the stoichiometric table include links to the inventory entries:
You can configure the desired columns that will be displayed in the stoichiometric table by clicking on the button highlighted in the figure below:
Clicking on the 'Show Participant' button 
, will allow you to show/hide the molecular structure in the graph experiment, and to display the participant as a structure, name, or both:
To edit or delete participants, highlight them and click on the applicable buttons (from the toolbar or from the table).
To create bottles for products and assign co for reactants and solvents, highlight the participant and click on the applicable button 
.
You can assign consumptions also by clicking on this button:
From the panel, you will be able to ‘add/edit or download in PDF format’ the ‘Material Safety Data Sheet’ of any of the participants:
Selecting the 'Process documents' tab, will allow you to add other relevant documentation such as Mnova documents, the raw NMR/MS spectra in .zip or .mnova format, images, etc.:
Once you have added the attachments, they will be listed in the appropriate panel.
NMR, MS, or ElViS datasets can be uploaded as Mnova documents or as raw data in zip files.
If you load a Mnova document, you will be able to see a small preview just by clicking on the 'Open Document' button.
Clicking on the 'Open Spectral preview' will display the viewer which will allow you to increase the intensity of your NMR spectrum, panning or zoom in:
Selecting the 'Data' tab will allow you to display the ‘Multiplets Table’ or generate a ‘Mutiplet Report’ in the journal format selected in the combobox (JACS, in the example below):
The original raw file can also be downloaded by clicking Edit and selecting the raw file from the same window.
You can also add images (very useful, for example, when adding TLCs) to your experiments. Clicking on the 'Open document' button will display a preview. These images can be included at the end of the report (with the description added).
You can also add PDF files in the bibliography section. Hovering the mouse over the PDF link will display a preview of the first page of the document:
From the experiment panel, you can edit the description of the experiment, clone, assign the experiment to another user, generate a report as a PDF, import a reaction scheme from Chemdraw, and send a message with the report (to any member of the same group):
For reasons of integrity, it is not possible to delete experiments. However, clicking on the ‘Edit Experiment’ button will allow you change the status (from open to closed or discarded). From here, you can also rename the experiment code, modify the start and end dates, and type 'descriptions' and conclusions':
From the experiment tab, you can check the 'Relevant experiment' box. This type of experiment will be highlighted in blue in the desk, allowing the users to easily select the important experiments in a reaction (for cloning, reporting, etc.). You can also filter your searches using the relevant experiments:
In the ‘Experiment panel’, you will also find a button that allows you to ‘Clone’ any experiment, a very useful feature for the creation of new experiments using existing ones as starting points (for instance, if you run the same experiment again under different conditions, or if you run a new experiment that is a modified version of an existing one).
When the 'Clone stoichiometric data' box is checked, the weight, volume, and number of moles will be automatically completed in the table for the cloned experiment. Please bear in mind that when you modify the amount of the limiting reagent, all the amounts of the remaining reactants will be automatically calculated according to the number of equivalents. The same button will appear in the list of existing experiments:
Clicking on the History field will display the relevant status information:
You can also navigate through the experiments by using the arrow buttons in the reaction scheme header:
You can assign experiments to other group members by clicking on the applicable button:
You can send messages from the reaction page, by clicking on the button 'Send message'. By doing this, the Send message dialog will opened, and the reaction will be displayed in the entities section:
