HRID1425468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3863484

3-(4-boronophenyl)propanoic Acid

C9H11BO4

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(CCC(=O)O)c2)=Nc2c1cc(Cl)c[n+]2CCCS(=O)(=O)[O-].[Na+].[Na+]

HCID86699470

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)c2ccc(CCC(=O)O)cc2)=Nc2c1cc(Cl)c[n+]2CCCS(=O)(=O)[O-].[Na+].[Na+]

HCID57329549

未命名化合物

PROCEDURE

实验过程

Compound 12 is prepared analogously to compound 10 (Example 10), except that 4-(2-carboxyethyl)phenylboronic acid is used as a starting material.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d21ea99d884349aea85d7aaaad70c7e1
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08927719B2
来源说明: uspto-grants-2015_01

反应 SMILES

C(CCC1C=C(/[C:12](/[CH:37]=[CH:38]/[C:39]2[C:40]([CH3:57])([CH3:56])[C:41]3[C:42]([N:55]=2)=[N+:43]([CH2:48][CH2:49][CH2:50][S:51]([O-:54])(=[O:53])=[O:52])[CH:44]=[C:45]([Cl:47])[CH:46]=3)=[CH:13]\[CH:14]=[C:15]2\[N:16]([CH2:30][CH2:31][CH2:32][S:33]([O-:36])(=[O:35])=[O:34])[C:17]3[C:22]([C:23]\2([CH3:25])[CH3:24])=[CH:21][C:20]([S:26]([O-:29])(=[O:28])=[O:27])=[CH:19][CH:18]=3)C=CC=1)(O)=O.[Na+:58].[Na+].[C:60]([CH2:63][CH2:64][C:65]1[CH:70]=[CH:69][C:68](B(O)O)=[CH:67][CH:66]=1)([OH:62])=[O:61]>>[C:60]([CH2:63][CH2:64][C:65]1[CH:70]=[CH:69][C:68](/[C:12](/[CH:37]=[CH:38]/[C:39]2[C:40]([CH3:57])([CH3:56])[C:41]3[C:42]([N:55]=2)=[N+:43]([CH2:48][CH2:49][CH2:50][S:51]([O-:54])(=[O:53])=[O:52])[CH:44]=[C:45]([Cl:47])[CH:46]=3)=[CH:13]\[CH:14]=[C:15]2\[N:16]([CH2:30][CH2:31][CH2:32][S:33]([O-:36])(=[O:35])=[O:34])[C:17]3[C:22]([C:23]\2([CH3:25])[CH3:24])=[CH:21][C:20]([S:26]([O-:29])(=[O:27])=[O:28])=[CH:19][CH:18]=3)=[CH:67][CH:66]=1)([OH:62])=[O:61].[Na+:58].[Na+:58]