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The structure-toxicity relationship of 59 substituted benzenes was studied by the method of bayesian regularization neural network,and a QSAR model was built for environmental toxicity evaluation and prediction of substituted benzenes with lipid-water partition coefficient and four quantum indices.

利用贝叶斯规整化神经网络研究了59种苯取代的环境毒性和分子结构的关系。建立了基于脂水分配系数和4种量子指数的QSAR环境毒性预测模型。结果表明:该模型的预测性能超过偏最小二乘法和逐步线性回归方法,残差分析显示其稳定可靠,有望成为一种良好的苯取代物毒性的环境评价和预测的方法

Compared with PF6P, the attachment of alkyl or alkoxyl groups on phenylene effectively inhibits the formation of fluorenone-based excimers and thus remarkably improves the thermal stability of the spectra.3. Morphology and phase behavior of the polymers substituted with alkyl and alkoxyl groups on phenylene were investigated by differential scanning calorimetry, X-ray diffraction and other techniques.

一方面,未取代的PF6P薄膜和烷氧基取代苯的PF60C6薄膜在空气中退火后都产生了芴酮结构,随退火温度的升高所生成的芴酮结构的含量逐渐增大;另一方面,新的长波发射随退火温度的升高其荧光寿命明显增加,因此确定PF6P空气退火薄膜的长波发射是来源于芴酮的激基缔合物。

Fourthly, The preparation of 1 -triazolyl-2-isoxazolinyl substituted-ethenes was developed through an one-pot 1, 3-dipolar cycloaddition of NaN_3 and RI,α-alkylation reaction of substituted allyl bromides and 1, 3-dipolar cycloaddition of nitrile oxidesbased on polystyrene-supported propargyl selenide.

四、从聚苯乙烯负载的炔丙基硒醚出发,通过与叠氮化钠和碘化物的一锅法1,3-偶极环加成反应、取代烯丙基溴的α-烷基化反应和腈氧化物的1,3-偶极环加成反应固相合成了1—三唑—2—异噁唑啉取代的-乙烯。

A series of α-(fluoro-substituted phenyl)pyridines have been synthesized by means of a palladium-catalyzed cross-coupling reaction between fluoro-substituted phenylboronic acid and 2-bromopyridine or its derivatives. The reactivities of the phenylboronic acids containing di- and tri-fluoro substituents with α-pyridyl bromide were investigated in different catalyst systems.

利用钯催化的SUZUKI偶联反应,以氟取代的苯硼酸与2-溴吡啶为原料合成了系列新的邻吡啶芳香化合物,研究了二及三氟取代的苯硼酸与溴代吡啶在不同催化体系中的反应性质。

Simultaneously we prepared benzimidazolines with two methods by the of reduction benzimidazolium salts with NaBH_4 and Grignard addition with benzimidazolium salts. Thus we provided a new biomimic synthetic method for 13 kind of tetrahydroisoquinoline starting from carboxylic aicd and halid, gave a new idea of the synthesis for new drugs.It can make many kind ofβ-carboline alkaloids which have bioactivity to antibacterium, antivirus and antitumor to start from 1,2,3,4-tetrahydro -β-carboline.

本文以1,3-二甲基苯并咪唑碘盐和2-取代的1,3-二甲基苯并咪唑碘盐为原料,采用了NaBH_4还原和Grignard试剂加成两种方法,制备了13种1,3-二甲基苯并咪唑烷和2-取代的1,3-二甲基苯并咪唑烷作为四氢叶酸辅酶一碳单元转移新模型,在酸性条件下,以2-(3,4-二甲氧基苯基)乙胺作为接收一碳转移的亲核试剂,完成了13种重要的四氢异喹啉类化合物的新合成方法研究。

In the reduction of 1, 6-diphenyl-1, 6-hexanedione catalyzed by the bis-squaryl proline, good enantioselectivities were obtained, the ee values were up to 90%.We also studied the asymmetric borane reduction of prochiral ketone catalyzed by a series of thiazolidine ligands.

本文考察了由L-半胱氨酸衍生的2-位无取代基的以及2-位芳基取代的噻唑烷酸及醇配体在前手性酮的不对称还原反应中的催化性能。

In the fifth part, asymmetric synthesis of β,γ-trans-alkenyl α-amino esters was achieved by chiral phosphoric acid catalyzed transfer hydrogenation of β,γ-alkynyl α-imino esters. Utilizing Hantzsch ester as the hydrogen donor, both the alkyne and imine moieties of β,γ-alkynyl α-imino esters were reduced to yield β,γ-trans-alkenyl α-amino esters with up to 96% ee.

第五部分工作中,使用手性磷酸作为催化剂,Hantzsch酯作为氢源,β,γ-炔烃取代的α-酮酸酯亚胺中的炔键和亚胺官能团均被还原,以中等的收率和优秀的对映选择性(up to 96% ee)得到β,γ-反式烯烃取代的α-氨基酸衍生物。

To replace the ionization constant of benzoic acid and esterification rate constant, and many others between the kinetic parameters can be observed that the same relationship that substituent effect in a reaction and another reaction to a certain degree of correlation between.

取代的苯甲酸的电离常数和酯化速率常数以及其他许多有关的动力学参数之间,可观察到同样的关系,即取代基效应在一个反应和另一个反应之间有一定的关联性。

An intramolecular α-addition of hydroxy or amine-substituted electron-deficient alkyns catalyzed by phosphines was developed. An intramolecular β-addition of hydroxysubstituted 2-alkynoates trigged by the tributylphosphine was also achieved.

在上面的研究中发现低活性的亚甲基取代的环内酰胺的[3+2]环加成反应也能顺利进行,因此我们研究并实现了β-位取代的贫电子烯烃的环加成反应,进一步拓展了叔膦催化的[3+2]环加成反应。

The Research about the Synthesis of Phenylsulfonyl α,β-unsaturated Ketones and Their Applications in Asymmetric Diels-Alder Reaction Catalyzed by Lewis Acid and Chiral Titanium Reagents.

苯磺酰基取代的α,β-不饱和酮的合成及其在不对称催化Diels-Alder反应中的研究中文名称:苯磺酰基取代的α,β-不饱和酮的合成及其在不对称催化Diels-Alder反应中的研究

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