利用ISISDraw绘制2D化学结构市公开课一等奖百校联赛特等奖课件.pptx

利用利用ISIS Draw繪製繪製2D化學結構化學結構Ta-Wei LiNCTU第1页Todays JoblPractice ISIS Draw BasicAromatic CompoundsBasic Aliphatic CompoundslDraw 2D Chemical StructurelDraw 2/3D Chemical Structure第2页Basic Strategy for ISIS Draw(1)lAll atoms are carbons unless you specify otherwise.lClick benzene of the template-tool icons on the horizontal tool bar:lTo place this template anywhere,just click an empty area.第3页Basic Strategy for ISIS Draw(2)lClick benzene Icon againlThen move the mouse to one bond of the previous benzene lClick the bondlAfter attachment,one can obtain naphthalene molecule第4页Select,Copy and PastelClick the Select tool that appears on the tool barUnderstand the difference among lThen,move the mouse to naphthalenelClick the mouse and circle naphthalene likelSelect“Edit”“Copy”and“Edit”“Paste”lMove the 2nd naphthalene to a empty space第5页Resizing StructureslTo resize a structure,select it,then drag one of the corner handleslTo scale a structure,select it,and then choose Object Scale Percent.Enter a number-without a%sign-to scale the structure.第6页Rotate Molecule 2D&3DlClick the 2D Rotate tool that appears on the tool barUnderstand the difference betweenlClick the mouse to select one of two naphthalene molecules,likelTry to rotate the selected molecule in 2D direction or 3D direction第7页Drawing Bonds lTo draw bonds,click a bond tool on the tool bar,such aslThen move the mouse to any atom of the 2nd naphthalene,such aslClick the mouse to sprout a bond from a atomlKeep adding a bond to every atom(except two bridge atoms)第8页Drawing AtomslTo draw an atom,clicklThen move the mouse to any sprouted bond of the 2nd naphthalene,such aslClick the mouselSee a text entry field and choose H from a list第9页Deleting atoms,bonds,and structureslSelect one or more atoms,bonds,or structures.Then,do one of the following:Press the Delete key.Choose Edit Cut.lTo delete atoms or bonds one at a time,click,then click an atom or bond.第10页Change Bond TypelClick benzene Icon againlClick any empty area to get benzenelUse right mouse button to click one bond and select“Edit Bond”lIn the folder of“Bond”,please select“Single/Aromatic”to get 1.5 bond drawn as the down right figure第11页Generate Chemical NameslDraw a chemical compound as the right pictureslSelect the whole moleculelClick on 第12页Automatically Create H AtomslSelect p-Xylene and click on the right button of the mouselSelect“Edit Molecule”lOn the“Atom”Folder,Select“Auto position”to create the H atoms automatically.第13页ISIS Draw Practice 1lPlease draw following molecular structures(20%)第14页ISIS Draw Practice 2lPlease draw the line structures of the following three molecule and show their molecular formulas and IUPAC names(30%)第15页Express Moles and ChargeslPresslType H2SO4lType H+lTypeSO42-?第16页Use Superscript to Express ChargelPresslType SO4S2-S lS:superscript.You must use a capital S.第17页Express Free Radical and Isotope lPresslType Cl.lType 15O第18页Draw Alkane,Alkene,Alkyne(1)lTo draw bonds,press a bond tool on the tool bar,such aslNext,drag the mouse onto the double-bond toollRelease the mouse and the cursor indicates that you can draw double bonds第19页Draw Alkane,Alkene,Alkyne(2)lTo place this double bond anywhere,just click an empty area and then drag the mouse for the direction of the bond lClick and move the mouse to any end of the double bondlSee a text entry field and type CH2lDo the same input to another end of the double bond to get 第20页Draw Alkane,Alkene,Alkyne(3)lWith the choice of ,move the mouse to the double bond area,such aslClick once to getlClick twice to get第21页Explicitly Show C atom of CO2lFirst drawlThen change single bonds into double bondslAdd C atom in the center of CO2 molecule ClickClick the center of CO2,select“more”In“Symbol”of the“Atom”folder,select“C(show)”to show C atom explicitly第22页Clean CO2 moleculelAdd O atoms in the two ends of CO2 aslSelect the whole CO2 moleculelClick“Object”“Clean Molecule”to get the proper molecular model of CO2 第23页Sprout HydrogenlTo draw chain molecules,click a chain tool on the tool bar,such aslSelect the whole molecule lClick Object Edit MoleculelIn HydrogenofAtomfolder,select Auto position第24页Draw Vitamin K(1)lTo draw chain molecules,click a chain tool on the tool bar,such aslClick an empty area and then drag until a 10-atom chain appearslMove the mouse to the 4th atom and click it to sprout a bond,such aslMove the mouse to the 8th atom and click it to sprout a bond,such as第25页Draw Vitamin K(2)lMove the mouse to the 3rd bond and click it to create a double bond,such aslClick and move the mouse to the 10th atom,and then type H,such aslQuestion 1:What should be the groups in the two red squares?第26页Draw Vitamin K(3)lClick and move the mouse to the left corner above of 6th atom such aslClick there as the start point of a bracket and drag the mouse to the right corner belowlChose“multiple group”in Bracket type and type“3”in Repeat countlClick“Apply”and close the window to get第27页Draw Vitamin K(4)lPlease finish the following picture第28页Chemistry Information of Vitamin KlSelect Vitamin K moleculelThen select ChemistryCalculate Mol ValuesCalculateto show the chemistry information of Vitamin KMolecular WeightMolecular FormulaMolecular Composition 第29页ISIS Draw Practice 3lPlease draw and clean the molecular structure of Vitamin K,and then show its molecular information including molecular weight and molecular formula.(10%)lPlease draw the line structures of the following two molecule and show their molecular formulas and IUPAC names(10%)第30页Draw 2/3D Chemical Structure(1)lClick lClick an empty area as the start point and then drag until a 4-atom chain appearslClick the rotation toollClick any part of the molecule and drag the mouse to rotate the molecule,such as第31页Draw 2/3D Chemical Structure(2)lClick the up-wedge tool lClick the 2nd atom and drag the up-wedge bond to the correct direction,such asl implies the bond above the molecular plane 第32页Draw 2/3D Chemical Structure(3)lPress and drag the mouse to the down-wedge toollClick the 2nd atom and drag the down-wedge bond to the right direction,such asl implies the bond below the molecular plane 第33页Draw 2/3D Chemical Structure(4)lClick the down-wedge bond again to change its direction from tolPlease finish the following picture 第34页Draw Cyclohexane(1)lClick cyclohexane of the template-tool icons on the horizontal tool barlClick an empty area and click the rotation tool to rotate cyclohexane to getlSelect the up-wedge tool and click cyclcohexane to get第35页Draw Cyclohexane(2)lSelect the up-bond tool lClick the Cyclohexane to get第36页Draw Cyclohexane(3)lClick“Templates”“Rings”lAmong various rings,clicklPlease try to finish the following picture第37页ISIS Draw Practice 4l請畫出 CH2CCCCH2 化合物 2/3D 結構圖。(10%)l請畫出以下化合物順式2/3D結構圖。(10%)第38页ISIS Draw Practice 5lPlease draw following molecular structures(10%)第39页ISIS Draw HomeworklFinish ISIS Draw practice 1,2,3,4,and 5,and save the file as“isisHW.skc”l請在今天（2月24日）午夜十二點將“isisHW.skc”上傳至 http:/bb.nctu.edu.tw 2月24日午夜十二點以前繳交，滿分為100分3月3日午夜十二點以前繳交，滿分為80分3月3日午夜十二點以後就不需要繳交，以0分計算第40页