HRID2204288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID517045

Sodium Acetate

C2H3NaO2

结构：CC1(CCCS(=O)(=O)O)C(/C=C/Nc2ccccc2)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

HCID88536347

未命名化合物

结构：COCCOCC[N+]1=C(C)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)O)ccc21

HCID88536361

未命名化合物

3 次

PRODUCTS

生成物

结构：COCCOCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)O)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)O)ccc21.[Na+].[Na+].[Na+]

HCID178496224

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21895370

未命名化合物

PROCEDURE

实验过程

Both 1 mmol 1-(5-carboxypentyl)-3-methyl-2-((E)-2-phenylamino-vinyl)-5-sulfo-3-(3-sulfopropyl)-3H-indolium and 1 mmol 1-[2-(2-methoxy-ethoxy)-ethyl]-2,3-dimethyl-5-sulfo-3-(3-sulfo-propyl)-3H-indolium were dissolved in 20 ml acetic acid/acetic anhydride (1/1) followed by the addition of 200 mg sodium acetate. The solution was stirred under reflux for 15 min. After cooling to room temperature, 20 ml diethylether was added. The resulting precipitate (mixture of the diastereomers 550-1 compound 2 and 550-2 compound 2) was extracted by suction, washed with ether and dried.

WORKUP

后处理

temperatureunder reflux for 15 min
extractionwas extracted by suction
washwashed with ether
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5a25a2fb66f452b9f08cdfe35728423
来源数据集: uspto-grants-2016_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09365598B2
来源说明: uspto-grants-2016_06

反应 SMILES

[C:1]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N+:9]1[C:17]2[C:12](=[CH:13][C:14]([S:18]([OH:21])(=[O:20])=[O:19])=[CH:15][CH:16]=2)[C:11]([CH3:29])([CH2:22][CH2:23][CH2:24][S:25]([OH:28])(=[O:27])=[O:26])[C:10]=1/[CH:30]=[CH:31]/NC1C=CC=CC=1)([OH:3])=[O:2].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][N+:46]1[C:54]2[C:49](=[CH:50][C:51]([S:55]([OH:58])(=[O:57])=[O:56])=[CH:52][CH:53]=2)[C:48]([CH3:66])([CH2:59][CH2:60][CH2:61][S:62]([OH:65])(=[O:64])=[O:63])[C:47]=1[CH3:67].C([O-])(=O)C.[Na+:72].C(OCC)C>C(O)(=O)C.C(OC(=O)C)(=O)C>[Na+:72].[Na+:72].[Na+:72].[C:1]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N:9]1[C:17]2[C:12](=[CH:13][C:14]([S:18]([OH:21])(=[O:20])=[O:19])=[CH:15][CH:16]=2)[C:11]([CH3:29])([CH2:22][CH2:23][CH2:24][S:25]([OH:28])(=[O:26])=[O:27])/[C:10]/1=[CH:30]\[CH:31]=[CH:67]\[C:47]1[C:48]([CH3:66])([CH2:59][CH2:60][CH2:61][S:62]([OH:65])(=[O:64])=[O:63])[C:49]2[C:54](=[CH:53][CH:52]=[C:51]([S:55]([OH:58])(=[O:56])=[O:57])[CH:50]=2)[N+:46]=1[CH2:45][CH2:44][O:43][CH2:42][CH2:41][O:40][CH3:39])([OH:3])=[O:2]