HRID449544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44717594

(3-Borono-5-fluorophenoxy)acetic acid

C8H8BFO5

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(CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)c2cc(F)cc(OCC(=O)O)c2)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c21.[Na+].[Na+].[Na+].[Na+].[Na+]

HCID86649227

未命名化合物

PROCEDURE

实验过程

Compound 36 was prepared analogously to compound 8 (Example 8), except that 2-(3-borono-5-fluorophenoxy)acetic acid is used as a starting material.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86ac3dc2c164493ca15b613f4dfa86a9
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(CCCCC1C=C(/[C:14](=[CH:47]\[CH:48]=[C:49]2\[N:50]([CH2:72][CH2:73][CH2:74][S:75]([O-:78])(=[O:77])=[O:76])[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:43]([O-:46])(=[O:45])=[O:44])C=CC=1)(O)=O.[Na+:79].[Na+].[Na+].[Na+].[Na+].B([C:87]1[CH:88]=[C:89]([CH:95]=[C:96]([F:98])[CH:97]=1)[O:90][CH2:91][C:92]([OH:94])=[O:93])(O)O>>[C:92]([CH2:91][O:90][C:89]1[CH:88]=[C:87](/[C:14](=[CH:47]\[CH:48]=[C:49]2\[N:50]([CH2:72][CH2:73][CH2:74][S:75]([O-:78])(=[O:77])=[O:76])[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:69])=[O:70])=[CH:60][C:55]=4[C:56]=3[C:57]\2([CH3:59])[CH3:58])/[CH:15]=[CH:16]/[C:17]2[C:25]([CH3:26])([CH3:27])[C:24]3[C:23]4[CH:28]=[C:29]([S:36]([O-:39])(=[O:37])=[O:38])[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][S:43]([O-:46])(=[O:44])=[O:45])[CH:97]=[C:96]([F:98])[CH:95]=1)([OH:94])=[O:93].[Na+:79].[Na+:79].[Na+:79].[Na+:79].[Na+:79]