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To obtain new functional aromatic polymer intermediates, the coupling reaction of acenaphthene catalyzed by inorganic salts, such as AlCl3, FeCl3, ZnCl2 and ionic liquid(Cl/FeCl3) was investigated at room temperature and ambient atmosphere.

为合成新型功能高分子中间体,分别研究了在AlCl3, FeCl3, ZnCl2等无机盐和Cl/FeCl3离子液体催化作用下,苊在温和条件常温常压下的偶联反应。

The optimized structures and energies of the reactants, intermediates, transition states and products of two reaction channels (corresponding to syn-acraldehyde and anti-acraldehyde) in gas or in methanol solvent were obtained. The potential energy profiles reveal the processes of the trimethylamine-catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde in gas or in methanol solvent at the microscope level.

通过研究,获得了三种情况下两种反应通道(分别对应于顺式-和反式-丙烯醛)中涉及的反应物、产物、中间体、过渡态的优化结构及其能量,并由此得到了反应的势能面图,在电子微观层次上揭示了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程。

They are also considered as synthetic intermediates for the construction of numerous cyclic and acyclic compounds.

在合成化学中,有机化学家也常常通过它们作为合成复杂天然或非天然产物的关键中间体。

Aggregately, we computed 24 reaction pathways, and found out 26 intermediates and 36 transition states in this section.

我们主要研究了Hg和Sn这两种元素在燃烧过程的微观反应特性,研究了17个反应体系,计算了24条反应通道,找到了26个反应中间体和36个反应过渡态。

While the adsorptions of 1-propanol and 1-Br-propane at 100℃ give rise to 1-propoxy species, which mainly converted to propanal at higher temperature. IR spectrum arising from the interaction of propene with the catalyst at 100 ℃ shows the IR bands of allyl alcoholate and isopropoxy species. As the temperature was increased to 150℃, the bands ascribable to the adsorbed acetone and acrolein were observed. Based on these results, it is suggested that isopropoxy species is one of the intermediates for SOP to acrolein over MoPO/SiO〓 catalyst.

2原位IR光谱实验结果表明:200℃时丙烷/O〓混合气在催化剂表面吸附后的IR谱与同温度下异丙醇吸附的IR谱相似,均检测到吸附态丙酮物种和丙烯醛物种的IR谱峰;溴代异丙烷和异丙醇在催化剂表面吸附后均转化为异丙氧基,异丙氧基主要转化为丙烯和丙酮,丙烯进一步转化为丙烯醛;溴代正丙烷和正丙醇在催化剂表面吸附后均转化为正丙氧基,正丙氧基主要转化为丙醛;丙烯在催化剂表面吸附后转化为σ-氧烯丙基和异丙氧基,升温后σ-氧烯丙基转化为丙烯醛而异丙氧基转化为丙酮。

One route was that the amino-groups on the silica gel were transformed to tertiary amines by Eschweiler-clarke reaction that amine-groups react with formaldehyde and methanoic acid to prepare tertiary amines; the silica gel intermediates with tertiary amine groups reacted with chorohydrocarbons to prepare insoluble silica gel quaternary ammonium salt bactericides. Another route was that the amino-groups on the silica gel reacted with excessive chlorohexadecane; the preparing intermediates were quaternized with iodomethane to obtain insoluble silica gel quaternary ammonium salt bactericides.

一条路线是根据埃施韦勒-克拉克(Eschweiler-clarke)胺甲基化反应,进行胺基叔胺化反应,制成带有叔胺官能团的硅胶中间体,此中间体上的叔胺与卤代烷反应生成杀菌活性官能团季铵盐,制成硅胶类水不溶性季铵盐杀菌剂;另一条路线是带有胺反应活性中心的硅胶与过量正氯代十六烷反应,得到的中间体再用碘甲烷季铵化,得到最终产品——水不溶性季铵盐杀菌剂。

Two isoxazole intermediates containing 1,2,3triazolyl and carbonyl ,which can also be used as intermediates for synthesis of new heterocyclic compounds,have been synthesized.

以2-苯基-1,2,3-三唑-4-甲醛为原料,合成2种在异噁唑环上同时含有1,2,3-三唑基和羰基的新型化合物,它们可作为合成其他杂环化合物的中间体,其分子结构经IR,1HMR,MS谱确证

The first synthetic route uses 1,2,4-trimethoxybenzene and chloroacetonitrile in forming 2,4,5-trimethoxy-a-chlor-acetophenone under the anhydrous condition, then the intermediate condensates with papaverine forming the core pyrro[2,l-a]isoquinoline, followed by formation and lactonization to form the lactone ring. The second synthetic route uses prepared aldehyde with prepared ethyl nitroacetate by Knoevenagel condensation to obtain 2-Nitro-3-(2,4,5-tris-methoxy-phenyl)-acrylic acid ethyl ester and 2-Nitro-3-(2,4,5-tris-benzyloxy -phenyl)-acrylic acid ethyl ester etal intermediates. The lamellarin skeleton could arise from condensation of the papaverine and these intermediates by Michael reaction, the ester group is provided for subsequent lactonization. The third synthetic route uses coumarin or indan-l,3-dione derivatives and papaverine to form lamellarin under basic conditions.

第一条路线首先从1,2,4-三甲氧基苯出发与卤乙腈作用合成卤代芳酮中间体,然后与罂粟碱反应合成开链片螺素,最后经乙酰化、去保护、成内酯环得到片螺素;第二条路线由制备的芳醛和制备的硝基乙酸乙酯经缩合得到2-硝基-3-芳基丙烯酸乙酯,然后由该中间体与罂粟碱反应,在完成关环的同时也引入酯基,最后去保护、成内酯环得到片螺素;第三条路线是由香豆素或茚二酮出发,经溴代后的中间体与罂粟碱反应,得到片螺素的基本框架。

Papers in the experimental part of our literature considered on the basis of the experimental exploration, and podophyllotoxin intermediates with the structural characteristics of a simple pepper aldehyde as the starting material,α,β-unsaturated carbonyl compounds are selective reduction lithium aluminum hydrogen reduction reaction as the key steps to have the Knoevenagel condensation, peracetic acid epoxy between chlorine and alkaline hydrogen peroxide epoxy, DCC condensation esterification reaction of the three podophyllotoxin intermediates.

论文实验部分我们在综合考虑文献的基础上,经过实验摸索,并结合鬼臼毒素中间体的结构特点以简单的胡椒醛为起始原料,对α,β-不饱和羰基化合物具有选择性还原的锂铝氢还原反应为关键步骤,先后经过Knoevenagel缩合,间氯过氧苯甲酸环氧化,碱性过氧化氢环氧化,DCC缩合酯化等反应合成了3个鬼臼毒素中间体。

Employing high-dilute method and 5-fold excess amine prepared two new "two-armed" acyclic diamine intermediates I_a and I_b, which are also intermediates of synthesizing microcyclic compounds, and eight aromatic Schiff bases, II_, were synthesized from reaction of I_a or I_b condensing with different aromatic aldehydes. Their composition and structure were characterized by Elemental analysis, IR, UV-Vis, LIF,~1HNMR and MS. The hydrogen bond interactions and MS fragmental patterns were also discussed.3. Several novel transition metal complexes using II_a as ligand were synthesized and identified by Elemental analysis, IR, UV-Vis,~1HNMR and molar conductivity.

1,采用高度稀释及胺过量五倍的方法合成了两个具有吡啶双酰胺臂的非环二胺Ⅰ_a和Ⅰ_b,并以它们为中间体进一步合成了八个芳香席夫碱Ⅱ_a-Ⅱ_h,通过元素分析及各种波谱测试鉴定了它们的组成与结构,对化合物的UV-Vis、LIF、IR、~1HNMR及MS进行了较为详细的讨论,还探讨了席夫碱的氢键相互作用及质谱裂解方式; 2,以席夫碱Ⅱ_a为配体合成了几个新型的过渡金属配合物,并通过元素分析、UV-Vis、IR、~1HNMR、摩尔电导及DTA—TG对其进行了表征,讨论了化合物的配位情况及配体在配位中的脱质子行为。

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