HRID1480510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312183

4-Boronobenzoic acid

C7H7BO4

$结构：CC1(C)C2=CC=CN(CCCS(=O)(=O)[O-])C2=N/C1=C/C=C1\CCCC(/C=C/C2=[N+](CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=C1Cl.[Na+].[Na+]$

HCID178422058

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/CCC2)=Nc2c1ccc[n+]2CCCS(=O)(=O)[O-].[Na+].[Na+]

HCID57329961

未命名化合物

PROCEDURE

实验过程

Compound 17 is prepared analogously to compound 10 (Example 10), except that 4-carboxyphenylboronic acid and compound 16 are used as starting materials.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-950f5597e4ad4fac85eb94597750052f
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09408924B2
来源说明: uspto-grants-2016_08

反应 SMILES

[C:1]([C:4]1[CH:9]=[CH:8][C:7](B(O)O)=[CH:6][CH:5]=1)([OH:3])=[O:2].Cl[C:14]1=[C:15]([CH:40]=[CH:41][C:42]2[C:50]([CH3:52])([CH3:51])[C:49]3[C:44](=[CH:45][CH:46]=[C:47]([S:53]([O-:56])(=[O:55])=[O:54])[CH:48]=3)[N+:43]=2[CH2:57][CH2:58][CH2:59][S:60]([O-:63])(=[O:62])=[O:61])[CH2:16][CH2:17][CH2:18]/[C:19]/1=[CH:20]\[CH:21]=[C:22]1/[C:23]([CH3:39])([CH3:38])[C:24]2[C:25](=[N:37]/1)[N:26]([CH2:30][CH2:31][CH2:32][S:33]([O-:36])(=[O:35])=[O:34])[CH:27]=[CH:28][CH:29]=2.[Na+:64].[Na+]>>[C:1]([C:4]1[CH:9]=[CH:8][C:7]([C:14]2/[C:15](=[CH:40]/[CH:41]=[C:42]3/[N:43]([CH2:57][CH2:58][CH2:59][S:60]([O-:63])(=[O:62])=[O:61])[C:44]4[C:49]([C:50]/3([CH3:51])[CH3:52])=[CH:48][C:47]([S:53]([O-:56])(=[O:54])=[O:55])=[CH:46][CH:45]=4)/[CH2:16][CH2:17][CH2:18][C:19]=2[CH:20]=[CH:21][C:22]2[C:23]([CH3:39])([CH3:38])[C:24]3[C:25]([N:37]=2)=[N+:26]([CH2:30][CH2:31][CH2:32][S:33]([O-:36])(=[O:35])=[O:34])[CH:27]=[CH:28][CH:29]=3)=[CH:6][CH:5]=1)([OH:3])=[O:2].[Na+:64].[Na+:64]