HRID229777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17937818

1-(5-Carboxypentyl)-4-methylpyridin-1-ium bromide

C12H18BrNO2

HCID22242641

Methanol--water (1/1)

CH6O2

结构：CCN(CCCS(=O)(=O)[O-])c1ccc2cc(C=O)c(=O)oc2c1.[Na+]

HCID87595310

未命名化合物

PRODUCTS

生成物

结构：CCN(CCCS(=O)(=O)[O-])c1ccc2cc(/C=C/c3cc[n+](CCCCCC(=O)O)cc3)c(=O)oc2c1.C[N+](C)(C)CC(=O)O

HCID86589120

未命名化合物

PROCEDURE

实验过程

0.2 mmol 3-[ethyl-(3-formyl-2-oxo-2H-chromen-7-yl)-amino]-propane-1-sulfonic acid sodium salt and 0.2 mmol 1-(5-carboxy-pentyl)-4-methyl-pyridinium bromide are converted according to the general directions above. Column chromatography: SiO2 (RP18), eluent: methanol/water.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c141d80bc6e942a3897d743bc1682761
来源数据集: uspto-grants-2009_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07563907B2
来源说明: uspto-grants-2009_07

反应 SMILES

[Na+].[CH2:2]([N:4]([C:12]1[CH:21]=[C:20]2[C:15]([CH:16]=[C:17]([CH:23]=O)[C:18](=[O:22])[O:19]2)=[CH:14][CH:13]=1)[CH2:5][CH2:6][CH2:7][S:8]([O-:11])(=[O:10])=[O:9])[CH3:3].[Br-].[C:26]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][N+:34]1[CH:39]=[CH:38][C:37]([CH3:40])=[CH:36][CH:35]=1)([OH:28])=[O:27].[CH3:41][OH:42].[OH2:43]>>[C:26]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][N+:34]1[CH:35]=[CH:36][C:37](/[CH:40]=[CH:23]/[C:17]2[C:18](=[O:22])[O:19][C:20]3[C:15]([CH:16]=2)=[CH:14][CH:13]=[C:12]([N:4]([CH2:2][CH3:3])[CH2:5][CH2:6][CH2:7][S:8]([O-:11])(=[O:9])=[O:10])[CH:21]=3)=[CH:38][CH:39]=1)([OH:28])=[O:27].[CH3:2][N+:4]([CH2:12][C:41]([OH:43])=[O:42])([CH3:26])[CH3:5]