HRID2354121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7918

Acetic anhydride

C4H6O3

结构：CC1=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCCS(=O)(=O)O

HCID86614816

未命名化合物

PRODUCTS

生成物

结构：CC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCCS(=O)(=O)O)C(C)(CCCCS(=O)(=O)O)c2cc(S(=O)(=O)[O-])ccc21

HCID178462545

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

PROCEDURE

实验过程

2-[(1E,3E)-4-Anilinobuta-1,3-dienyl]-1-ethyl-3-methyl-3-(4-sulphobutyl) 3H-indolium-5-sulphonate (71 mg) was dissolved in a mixture of pyridine (45): acetic acid (45): acetic anhydride (10) (5 ml), at 90° C. To this solution was added crude 1-(5-carboxypentyl)-2,3-dimethyl-3-(4-sulphobutyl)-3H-indolium-5-sulphonate, portionwise at 20 minute intervals, until UV/Vis is analysis indicated complete conversion of half-dye components (λmax=524, 430 nm) to Cy5 dye product (λmax=653 nm). The solvent was then evaporated under vacuum and the residue purified by HPLC (RPC18. Water/methanol/triethylamine, then water/acetonitrile/TFA).

WORKUP

后处理

customat 90° C
customThe solvent was then evaporated under vacuum
customthe residue purified by HPLC (RPC18

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d09c99299ec94b4b96a452c9af819250
来源数据集: uspto-grants-2010_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07750163B2
来源说明: uspto-grants-2010_07

反应 SMILES

[C:1](O)(=O)[CH3:2].C(O[C:9](=O)[CH3:10])(=O)C.[C:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][N+:20]1[C:28]2[C:23](=[CH:24][C:25]([S:29]([O-:32])(=[O:31])=[O:30])=[CH:26][CH:27]=2)[C:22]([CH3:41])([CH2:33][CH2:34][CH2:35][CH2:36][S:37]([OH:40])(=[O:39])=[O:38])[C:21]=1[CH3:42])([OH:14])=[O:13]>N1C=CC=CC=1>[C:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][N:20]1[C:28]2[C:23](=[CH:24][C:25]([S:29]([OH:32])(=[O:31])=[O:30])=[CH:26][CH:27]=2)[C:22]([CH3:41])([CH2:33][CH2:34][CH2:35][CH2:36][S:37]([OH:40])(=[O:38])=[O:39])/[C:21]/1=[CH:42]\[CH:15]=[CH:16]\[CH:17]=[CH:18]\[C:19]1[C:9]([CH3:10])([CH2:33][CH2:34][CH2:35][CH2:36][S:37]([OH:40])(=[O:39])=[O:38])[C:27]2[C:28](=[CH:23][CH:24]=[C:25]([S:29]([O-:32])(=[O:31])=[O:30])[CH:26]=2)[N+:20]=1[CH2:1][CH3:2])([OH:14])=[O:13]