HRID449536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3856118

3-(2-CARBOXYETHYL)PHENYLBORONIC ACID

C9H11BO4

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

PRODUCTS

生成物

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

HCID86649209

未命名化合物

PROCEDURE

实验过程

Compound 10 was prepared analogously to compound 8 (Example 8), except that 3-(3-boronophenyl)propionic acid is used as a starting material.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0872a4b341db46779f512362725276bc
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:14](=[CH:47]\[CH:48]=[C:49]2\[N:50]([CH2:72][CH2:73]CS([O-])(=O)=O)[C:51]3[CH:52]=[CH:53][C:54]4[C:63]([S:64]([O-:67])(=[O:66])=[O:65])=[CH:62][C:61]([S:68]([O-:71])(=[O:70])=[O:69])=[CH:60][C:55]=4[C:56]=3[C:57]\2([CH3:59])[CH3:58])/[CH:15]=[CH:16]/[C:17]2[C:25]([CH3:27])([CH3:26])[C:24]3[C:23]4[CH:28]=[C:29]([S:36]([O-:39])(=[O:38])=[O:37])[CH:30]=[C:31]([S:32]([O-:35])(=[O:34])=[O:33])[C:22]=4[CH:21]=[CH:20][C:19]=3[N+:18]=2[CH2:40][CH2:41][CH2:42]S([O-])(=O)=O)[CH:11]=CC=1)([OH:3])=[O:2].[Na+:79].[Na+].[Na+].[Na+].[Na+].B(C1C=C(C[CH2:94][C:95](O)=O)C=CC=1)(O)O>>[C:1]([CH2:4][CH2:5][C:6]1[CH:11]=[C:10](/[C:14](=[CH:47]\[CH:48]=[C:49]2\[N:50]([CH2:72][CH2:73][CH2:95][CH2:94][S:36]([O-:39])(=[O:38])=[O:37])[C:51]3[CH:52]=[CH:53][C:54]4[C:63]([S:64]([O-:67])(=[O:66])=[O:65])=[CH:62][C:61]([S:68]([O-:71])(=[O:70])=[O:69])=[CH:60][C:55]=4[C:56]=3[C:57]\2([CH3:58])[CH3:59])/[CH:15]=[CH:16]/[C:17]2[C:25]([CH3:27])([CH3:26])[C:24]3[C:23]4[CH:28]=[C:29]([S:36]([O-:39])(=[O:38])=[O:37])[CH:30]=[C:31]([S:32]([O-:35])(=[O:33])=[O:34])[C:22]=4[CH:21]=[CH:20][C:19]=3[N+:18]=2[CH2:40][CH2:41][CH2:42][CH2:31][S:32]([O-:35])(=[O:34])=[O:33])[CH:9]=[CH:8][CH:7]=1)([OH:3])=[O:2].[Na+:79].[Na+:79].[Na+:79].[Na+:79].[Na+:79]