Transcription of NITE MOLファイル作成システム 利用者マニュアル
1 1 NITE MOL 2019 9 2 NITE MOL .. 3 .. 3 .. 3 Marvin JS .. 3 .. 4 .. 5 General Toolbar .. 5 Tools Toolbar .. 7 Atoms Toolbar .. 8 Templates Toolbar .. 9 .. 11 NITE MOL .. 12 .. 12 NITE .. 12 NITE .. 12 .. 12 V3000 MOL .. 12 .. 14 .. 14 .. 14 .. 14 .. 14 .. 15 .. 15 .. 16 3 NITE MOL NITE MOL V3000 MOL MOL V3000 MOL NITE MOL Marvin JS ChemAxon Marvin JS General Toolbar 4 Tools Toolbar Atoms Toolbar Templates Toolbar Atoms Bonds chemdraw NITE MOL MDL Molfile V3000
2 MDL Molfile V3000 MDL Molfiles V2000 MDL Molfile V3000 (.mol) ChemAxon Marvin Documents SMILES ChemAxon SMILES ChemAxon Extended SMARTS InChI CML MDL SDfile ChemAxon Compressed Molfile ChemAxon Compressed SDfile CDX CDXML SKC mol 5 General Toolbar General / / / / General Clear Ctrl+Z Ctrl+Z Ctrl+Z Import Marvin JS MDL Molfiles V2000, MDL Molfile V3000 (.mol), ChemAxon Marvin Documents, SMILES, ChemAxon SMILES, SMARTS, ChemAxon Extended SMARTS, InChI, CML, MDL SDfile, ChemAxon Compressed Molfile, ChemAxon Compressed SDfile, CDX, CDXML, SKC Export MDL Molfiles V2000, MDL Molfile V3000 (.)
3 Mol), ChemAxon Marvin Documents, SMILES, ChemAxon SMILES, SMARTS, ChemAxon Extended SMARTS, InChI, CML, MDL SDfile, ChemAxon Compressed Molfile, ChemAxon Compressed SDfile, CDX, SKC V3000 MOL MDL Molfile V3000 6 Export Image PNG JPEG Undo Redo "Undo" Cut Copy Paste Zoom all Zoom all Zoom in, Zoom out, Zoom all, Zoom to selection Zoom in Zoom out Zoom to selection Clean 2D View Settings View Settings About Marvin JS Marvin JS ChemAxon 7 Tools Toolbar Tools Tools Rectangle Selection Freehand Selection Delete 1 Bonds Chain Increase Charge Decrease Charge Bonds Tools Bonds
4 Marvin JS Bonds Drawing Ctrl + D Single bond 1 Double bond 2 Triple bond 3 Single Up wedge bond 5 Single Down wedge bond 6 8 Atoms Toolbar Atoms Atoms Periodic table Frequently used atoms Atoms Star atom Periodic Table Periodic Table Star (*) atom Star (*) atom Atom list NOT list Atom list NOT list 9 Templates Toolbar Templates 5 1 Templates Cyclohexane Cyclopentane Pyrrole Cyclopentane (house)
5 Benzene Abbreviated groups Abbreviated groups Templates Abbreviated groups NITE Expand Abbreviated groups Abbreviated groups Abbreviated groups Abbreviated groups Abbreviated groups 10 Abbreviated groups Expand Abbreviated groups Expand search groups Ac, AcOH [OK] [Esc] search groups Expand 11 NITE MOL OK Ctrl+Z V3000 MOL Web.
6 Mol 3 PDF 12 NITE MOL NITE MOL OK Undo Ctrl+Z Ctrl+Z Ctrl+Z NITE NITE MOL NITE NITE Import MOL Export NITE NITE MOL NITE NITE MOL NITE MOL NITE V3000 MOL V3000 MOL 2GB 13 C315H512O189 C630H1024O378 V3000 20 185 V3000 OS.
7 Windows 10 Pro 64 bit Intel Core i7-3537U CPU @ 8GB Internet Explorer 11 14 NITE MOL 3 1 5 ChemAxon Marvin JS Marvin JS was used for drawing, displaying and characterizing chemical structures, substructures and reactions, Marvin , 2018.
8 ChemAxon 15 16 1-Naph2-4 DCZ2-6 Clb2-6 DCZ2-Abz2 BrZ2 ClZ2-Fur2-Naph2-OHEt2 OHPh2 Pip3-Fur3Py4 Abz4 BrZ4 ClZ4-OMe-Bz4Py5-TAMRAAacAbuAbzAcAc2 OAcAcAcetAcmAcNAcOHAdADAarabifADAllosADA ltroADArabipAdeADErythADFructADGalacADGl ucoADIdoseADLyxofADLyxopADMannoAdocADPsi coADRibofADRibopADSorboADTagatADTalosADT hreoADXylofADXylopAIBNAlaAlCl3 AllAllocAllylAmAMCAAmocAMPAmylAoaArgAsnA spAsuAsxB2H6 BamBDAllosBDAltroBDArabifBDArabipBDEryth BDFructBDGalacBDGlucoBDGulosBDIdoseBDLyx ofBDLyxopBDMannoBDPsicoBDRibofBDRibopBDS orboBDTalosBDThreoBDXylofBDXylopBenzoylB enzylBeocBhocBicBiotinylBmvBnBocBomBOPBp ocBr2 BrosylBsBtBTCBtmBuBumBzBzhBzlC10C10H21C1 1C11H23C12C12H25C13C13H27C14C14H29C15C15 H31C16C16H33C17C17H35C18C18H37C19C19H39C 2C20C20H41C21C21H43C22C22H45C23C23H47C24 C24H49C25C25H51C2H5C3C3H7C4C4H9C5C5H11C6 C6H13C6H5C7C7H15C8C8H17C9C9H19 CBr3 Cbzc-C10H19c-C11H21c-C12H23c-C13H25c-C14 H27c-C15H29c-C16H31c-C17H33c-C18H35c-C19 H37c-C20H39c-C21H41c-C22H43c-C23H45c-C24 H47c-C25H49c-C3H5c-C4H7c-C5H9c-C6H11c-C7 H13c-C8H15c-C9H17 CCl3 CCl4 CDICeCeocCF3CH2CH2 PhCH2CH3cHexCHLCHOcHxc-HxCl2 CMPCNCOCO2 AmCO2 BnCO2 BuCO2 EtCO2 HCO2iAmCO2i-AmCO2iBuCO2i-BuCO2iPrCO2i-Pr CO2 KCO2 MeCO2 NaCO2n-AmCO2n-BuCO2neoAmCO2neo-AmCO2n-Pr CO2 PhCO2 PrCO2s-AmCO2sBuCO2s-BuCO2tAmCO2t-AmCO2tB uCO2t-BuCoACOBrCOBuCOCF3 COClCOCOCOEtCOFCOiPrCOMeCOMUCONEt2
9 CONH2 CONHEtCONHMeCONMe2 COOAmCOOBnCOOBuCOOEtCOOHCOOiAmCOOi-AmCOO iBuCOOi-BuCOOiPrCOOi-PrCOOKCOOMeCOONaCOO n-AmCOOn-BuCOOneoAmCOOneo-AmCOOPhCOOPrCO Os-AmCOOsBuCOOs-BuCOOtAmCOOt-AmCOOtBuCOO t-BuCOPhCOPrCOsBuCOs-BuCOSHCOtBuCOt-BuCp eCPh3 CpmCS2 CtCycyclobutylcycloheptylcyclooctylcyclo pentylcyclopropylCysCytdADAllosDAltroDan DansylDArabiDbpocdCDCBDCCDCEDCMDdeDdivDD QDdzDEADDEAEDEIPSDE rythDErythuDFructdGDGalacDGlucoDHPDIADDI CDI doseDIEADipDIPEADL yxosDMADmabDMannoDMAPDmbDMEDMFDMIPSDmnbD mocDMPMDMPSDMSDMSODMTDMTrDNBZDnpDNPSDnsD ocDPIPSDppDPPADP sicoDPTBSDR ibosDRibulDSorbodTDTagatDTalosDTBMSDTBSD T hreoDXylosDXylulEDANSEDCEDCIEEEscEtEt4 NEthylEtOHFarnesylFmocForFpmpFtGlnGlpGlu GlxGlyGMPGuaH2H2OH2O2H2PO4H2SO4H3PO4 HATUHBTUHClHClO4 HcyHexHFIPH ippurylHisHmbHMPAHNO2 HNO3 HOAtHOBtHPO4 HseHSO4I2iAmi-AmiBui-BuIBXi-C3H7i-C4H9i- C5H11 IleImIndoleIPAiPri-PrIpsKMnO4 KNO2 KNO3 KOHLeuLevLysMalMbhMbsm-C6H4 MCAMDIPSMDPSMeMe3 NMebMEMMesMetMgBrMgClMMTMMTrMnO2 MobMOMMozMpcm-PhenyleneMPMMsMscMSMMTBEMt hpMTMm-Tolm-TolylMtrMtsMttLMFGHIJKE ABCD 17 N+Et3N+Et4N+Me3N2N2+N3 NaCln-AmNaNO2 NaNO3 NaOHNaphNBocNBSn-BuNBu4 NCn-C3H7n-C4H9n-C5H11n-C6H13 NCONCSneoAmneo-Amneo-C5H11 NEt2 NEt3 NHAcNHAmNHBnNHBocNHBuNHCbzNHEtn-HexNHiAm NHi-AmNHiPrNHi-PrNHMeNHn-AmNHn-BuNHneoAm NHneo-AmNHOHNHPhNHPrNHs-AmNHs-BuNHtAmNHt -AmNHtBuNHt-BuNHTosNHTsNHZNISN itrosoNleNMe2 NMPNONO2NO3 NosylNpNpeNpeocNpesn-PrNpsNpysNsNvaNvocO 2 OAcOAmOBnOBocOBuOBzo-C6H4 OCNOEtOH2+OiAmOi-AmOiPrOi-PrOKOleoylOLiO MeOMe3 SiOMsONaOn-AmOn-BuOneoAmOneo-AmONO2o-Nos ONpOnPrOn-PrOPfpOPho-PhenyleneOPMBOPrOrn Os-AmOs-BuOSiEt3 OSiME3 OSuOtAmOt-AmOTBDMSOTBSOtBuOt-BuOTESOTfOT HPOTIPSOTMSo-Tolo-TolylOTosOTreOTsOxymaP (OEt)2P(OMe)
10 2P+Ph3 PacPalPbfPbpPBr3p-C6H4 PcbPCCPCl3 PCl5 PdCl2 PEG3 PEG4PF6 PfpPhPhacmPhePhenylPhFPhOMePhtPI3 PicPiPPipocPivPMBPMBMPmcPMPPNBPO(OEt)2PO (OMe)2PO3PO3 HPO3H2PO4 POBr3 PocPOCl3 POI3 PPh2 PPh3p-PhenylenePrProPropPtBu3p-Tolp-Toly lPvPyPyBOPPylPyrimQxcring10ring11ring12r ing13ring14ring15ring16ring17ring18ring1 9ring20ring21ring22ring23ring24ring25rin g3ring4ring5ring6ring7ring8ring9 SAms-AmSarSBus-Bus-Butyls-C4H9s-C5H11 ScmSCNSecSEMSerSESSEtSiAmSi-AmSiEt3 SiMe3 SiPrSi-PrSKSLiSMCCSMeSMPTSNaSn-AmSn-BuSn Bu3 SneoAmSneo-AmS
