HRID449538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)C(/C=C/C(=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)c2cccc(CCCCC(=O)O)c2)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c21.[Na+].[Na+].[Na+].[Na+].[Na+]

HCID86649207

未命名化合物

结构：CC1(C)C(/C=C/C(Br)=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+]

HCID86649213

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(/C=C/C(=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)c2cccc(CCCCC(=O)O)c2)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+]

HCID49782696

未命名化合物

PROCEDURE

实验过程

Compound 14 was prepared analogously to compound 8 (Example 8), except that compound 13 was used as starting materials. UV/vis absorption max: λH2O=649 nm, ε=190,000; λMeOH=650 nm, ε=180,000; MS calculated (found) for (M+1)+935.21 (935.3).

WORKUP

后处理

customUV/vis absorption max

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5256086f71964044ba0f51782dff3663
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08481752B2
来源说明: uspto-grants-2013_07

反应 SMILES

[C:1]([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:9]=[C:10](/C(=C\C=C2\N(CCCS([O-])(=O)=O)C3C=CC4C(S([O-])(=O)=O)=CC(S([O-])(=O)=O)=CC=4C=3C\2(C)C)/C=C/C2C(C)(C)C3C4C=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=4C=CC=3[N+]=2CCCS([O-])(=O)=O)[CH:11]=[CH:12][CH:13]=1)([OH:3])=[O:2].[Na+:79].[Na+].[Na+].[Na+].[Na+].Br/[C:85](=[CH:110]\[CH:111]=[C:112]1\[N:113]([CH2:127][CH2:128][CH2:129][S:130]([O-:133])(=[O:132])=[O:131])[C:114]2[C:119]([C:120]\1([CH3:122])[CH3:121])=[CH:118][C:117](S([O-])(=O)=O)=[CH:116][CH:115]=2)/[CH:86]=[CH:87]/[C:88]1[C:96]([CH3:98])([CH3:97])[C:95]2[C:90](=[CH:91][CH:92]=[C:93]([S:99]([O-:102])(=[O:101])=[O:100])[CH:94]=2)[N+:89]=1CCCS([O-])(=O)=O.[Na+].[Na+].[Na+]>>[C:1]([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[C:12](/[C:85](=[CH:110]\[CH:111]=[C:112]2\[N:113]([CH2:127][CH2:128][CH2:129][S:130]([O-:133])(=[O:132])=[O:131])[C:114]3[C:119]([C:120]\2([CH3:121])[CH3:122])=[CH:118][C:117]([S:130]([O-:133])(=[O:132])=[O:131])=[CH:116][CH:115]=3)/[CH:86]=[CH:87]/[C:88]2[C:96]([CH3:98])([CH3:97])[C:95]3[C:90](=[CH:91][CH:92]=[C:93]([S:99]([O-:102])(=[O:101])=[O:100])[CH:94]=3)[N+:89]=2[CH2:91][CH2:92][CH2:93][S:99]([O-:102])(=[O:101])=[O:100])[CH:11]=[CH:10][CH:9]=1)([OH:3])=[O:2].[Na+:79].[Na+:79].[Na+:79]