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Unformatted text preview: emplate shadow—we are going to use it later. 4. Repeat these steps for Cyclopentane Note and Carboxyl . When you select new radicals from the Table of Radicals, the corresponding buttons are automatically added to the References toolbar. To remove these buttons from the References toolbar, double-click the References toolbar and, in the message box that appears, click Yes. 3.3 Using Ring Structures Now we’ll draw hexadecahydrocyclopenta[c]fluorene-3,4,5,7,8,9-hexacarboxylic acid. 1. On the References toolbar, click Cyclopentane 2. Click in the workspace to paste a five-membered ring. 3. On the same toolbar, click Cyclohexane then click to create the following structure: . Now point to the indicated bond and . ACD/ChemSketch Tutorial 19 Drawing More Complex Structures 4. Repeat these steps to create the following structure; 5. On the Structure toolbar, click Set Bond Vertically then click the indicated bond to rotate the structure around this bond to obtain the following: 6. On the References toolbar, click Carboxyl . 7. Click the atoms indicated on to sprout carboxyl groups from them to obtain: O OH HO O O HO HO O HO O OH O 3.4 Deleting Atoms and Fragments O HO O HO O CH3 CH3 OH O OH O HO HO O We are going to delete the atoms indicated by the arrows on to draw O H3C CH3 CH3 You can do this in two ways: delete each atom individually (covered in Section 2.2.3) or delete several atoms simultaneously. 3.4.1 Deleting Several Atoms Simultaneously In this section, you will learn how to delete all the required structural elements at once: 1. On the Structure toolbar, click Lasso On/Off Note Select/Move becomes active. to enable the Lasso selection mode . ACD/ChemSketch Tutorial 20 Drawing More Complex Structures 2. Drag to include all of the specified atoms in the closed Lasso line to select them: O HO O HO O HO HO O OH O OH O Note The dotted path on this picture shows the suggested path enclosing the desired groups, and it will not appear as such in your workspace. Only the atoms within the lassoed space are selected. and click any of the highlighted atoms to delete all of 3. On the General toolbar, click Delete them simultaneously. -OROn the keyboard, press DELETE. Note You can select atoms, bonds, and fragments in two different ways, by using either the Lasso selector or the Rectangle selector fragment(s), click anywhere in the empty space. . To deselect all 3.5 Replacing Atoms CH3 CH3 Now we will replace the atoms indicated with arrows on NH2 NH N HN NH2 N HO N OH NH OH O H3C CH3 CH3 to draw O 1. On the Atoms toolbar, click Nitrogen head arrow on the above structure. 2. On the Atoms toolbar, click Oxygen head arrow. Note , and then click all the carbons denoted by an open, and then click the three Carbons denoted by a solid- You cannot replace atoms with the Draw Continuous tool (see Section 2.2.8). ACD/ChemSketch Tutorial 21 Drawing More Complex Structures 3.6 Setting Double and Triple Bonds This section will familiarize you with drawing double and triple bonds: 1. With any of the Draw Normal click the bonds indicated on NH2 NH N O HO N OH NH N OH HN NH2 N N HN NH2 N HO N + , Draw Continuous , or Draw Chains NH2 tools active, to set double bonds: O N OH OH , the structure’s appearance can be “fine-tuned”. Click 2. Using the Change Position button this button, and then click the indicated hydrogens and double bonds. Note the movement of hydrogen around the nitrogen and oxygen, and the double bond around the single bond: NH2 N N O HO N + HN NH2 OH N OH 3. On the General toolbar, click Save File , then click New Page . 3.7 Setting Charges and Defining Anions and Cations In this section, we will draw the following set of structures: H3C NH2 CH3 cation + H3C N CH3 anion H3C NH + H3C - N CH3 free radical H3C H3C N singlet biradical H3C CH3 NH CH3 N triplet biradical positive radical ion negative radical ion 1. On the Atoms toolbar, click Carbon and make sure that the Draw Normal active. Click three times at the same point to draw the following structure: H3C CH3 tool is ACD/ChemSketch Tutorial 22 Drawing More Complex Structures 2. On the Atoms toolbar, click Nitrogen a nitrogen: , and then click the middle carbon to replace it with 3. On the Atoms toolbar, click the bottom right triangle of Increment (+) Charge to the following buttons: Increment (+) Charge Decrement (–) Charge Radical Positive Radical Ion Negative Radical Ion 4. Click Decrement (–) Charge and then click the NH group to make an anion: H3C to expand it N - CH3 from the group of 5. Right-click to switch to the Increment (+) Charge tool (or choose buttons) and click twice to make a cation: H3C NH2 CH3 Note + When you use the Charge buttons, or , to change the charge of a nonmetal, the corresponding number of hydrogen atoms is automatically added to it, or removed from it, to preserve proper chemical valency. If you change the charge of a metal, the charge is changed in increments or decrements in accordance with the next chemically valid charge of the corresponding ion. (You can view common valences used in the Periodic Table of the Elements.) 6. Click Radical f...
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