乙二醛

The purified active substance is composed of alternating disaccharide units (glucuronic acid and N-acetyl galactosamine).

单纯的活性药物成分由若干交互的二糖单元（葡萄糖醛酸和N－乙酰－半乳糖胺）连结而成。

The other for: safrole, sassafras oil, safrole different 82 yuan / kg; 1 - phenyl -2 - propanone 2,500 yuan / kg; 3.4 dioxane methylene diphenyl -2 - propanone 7200 yuan / ton; Piperonal 1,000 yuan / kg; N-acetyl-o-amino benzoic acid 11500 yuan / ton; anthranilic acid 15,500 yuan / ton; Phenylacetate 15,000 yuan / ton; acetic anhydride 9900 yuan / ton; trichloromethane 4100 yuan / ton ; anhydrous ether 8500 yuan / ton; piperidine 58000 yuan / ton; methyl ethyl ketone 10,000 won / ton; sulfate 1,200 yuan / ton; hydrochloride 400 yuan / ton; ethanol 4200 yuan / ton.

另供：黄樟素、黄樟油、异黄樟素82元/公斤；1-苯基-2-丙酮2500元/公斤；3.4 亚甲基二氧苯基-2-丙酮7200元/吨；胡椒醛1000元/公斤；N-乙酰邻氨基苯酸11500元/吨；邻氨基苯甲酸15500元/吨；苯乙酸15000元/吨；醋酸酐9900元/吨；三氯甲烷4100元/吨；无水乙醚8500元/吨；哌啶58000元/吨；甲基乙基酮10000元/吨；硫酸1200元/吨；盐酸400元/吨；无水乙醇4200元/吨。

The other for: safrole, sassafras oil, safrole different 82 yuan / kg; 1 - phenyl -2 - propanone 2,500 yuan / kg; 3.4 dioxane methylene diphenyl -2 - propanone 7200 yuan / ton; Piperonal 1,000 yuan / kg; N-acetyl-o-amino benzoic acid 11500 yuan / ton; anthranilic acid 15,500 yuan / ton; Phenylacetate 15,000 yuan / ton; acetic anhydride 9900 yuan / ton; trichloromethane 4100 yuan / ton ; anhydrous ether 8500 yuan / ton; piperidine 58000 yuan / ton; toluene 5200 yuan / ton; methyl ethyl ketone 10,000 won / ton; sulfate 1,200 yuan / ton; hydrochloride 400 yuan / ton; anhydrous Ethanol 4200 yuan / ton.

另供：黄樟素、黄樟油、异黄樟素82元/公斤；1-苯基-2-丙酮2500元/公斤；3.4 亚甲基二氧苯基-2-丙酮7200元/吨；胡椒醛1000元/公斤；N-乙酰邻氨基苯酸11500元/吨；邻氨基苯甲酸15500元/吨；苯乙酸15000元/吨；醋酸酐9900元/吨；三氯甲烷4100元/吨；无水乙醚8500元/吨；哌啶58000元/吨；甲苯5200元/吨；甲基乙基酮10000元/吨；硫酸1200元/吨；盐酸400元/吨；无水乙醇4200元/吨。

Alicy aldehyde,coumaein,diethyl malonate,synthetic spicery essence,etc.

水杨醛，香豆素，丙二酸乙酯，合成香精香料等。

It manufactures heterocyclic, such as pyrazine, thiazole, furan, pyridine and sulf-compounds with their ramifications; and pharmaceutical intermediates such as veratraldehyde, isovanillin, sufurol, diacetyl, acetoin, and 2, 5-dimethyl pyrazine.

食用产品有吡嗪、噻唑、呋喃、吡啶等杂环系列及含硫系列的合成香料化合物。医药中间体产品有：藜芦醛、异香兰素、硫噻唑、丁二酮、乙偶姻、2，5-二甲基吡嗪等。

Water,butylene glycol,biosaccharide gum-1,ppg-26-buteth-26,panthenol,peg-40 hydrogenated caster oil,hydroxyethylcellulose,imidazolidinyl urea,saccharide isomerate,benzophenone-4,phenoxyethanol,triethanolamine,citrus aurantium dulcisoil,pentadecalactone,methylparaben,sodium hyaluronate,citric acid,butylparaben,ethylparaben,citrus aurantium amaraoil,propylparaben,methylchloroisothiazolinone,methylisothiazolinone,red 4,yellow 5,red 33,limonene,linalool

水，丁二醇，多醣物质，PPG-26-丁醇聚醚-26，维生素B5，PEG-40氢化蓖麻油，羟乙基纤维素，尿素醛，天然异构寡糖，二苯甲酮- 4，苯氧乙醇，三乙醇胺，甜橙油，环十五内酯，羟苯甲酯，透明质酸钠，柠檬酸，羟苯丁酯，羟苯乙酯，苦橙油，羟苯丙酯，甲基氯异塞唑晽酮，甲基异噻唑啉酮，红4，黄5，红33，柠檬精油，芳樟醇

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

The details and results are summarized below:(1)An ABC style three component cascade reaction of aromatic aldehydes, aromatic amines and diethyl malonic ester or cyclohexanone has been developed.

论文从苯炔和亚胺出发，设计并系统研究了4种新的多组分串联反应，主要内容和结果如下：(1)发展了一种芳醛、芳胺和丙二酸二乙酯或环己酮的ABC型三组分串联反应。

In thesecond chapter, eleven 1,3,4-oxadizoles bearing chiral pyrazolyl moieties(4a-k) andfive triazolotriazines bearing chiral pyrazolyl moieties(5a-e) were obtained from5-[(1"S)-1",2-diacetyl-oxyethyl]-1-phenylpyrazol-3-carboxaldehyde(1) with arylcar-bohydrazide or (5-aryl-1,2,4-triazin-3-yl)hydrazine through an intramolecular1,3-dipolar cycloaddition in the presence of the non-metal oxidant IBD.

其中第二章介绍了以D-葡萄糖为原料制得的5-[(1′S)-1′，2′-二乙酰氧基乙基]-1-苯基吡唑-3-醛(1)分别与芳基甲酰肼、(5-取代苯基-1，2，4-三嗪-3-基)肼反应，在无金属氧化剂—IBD引发下，发生分子内1，3-偶极环加成，采用&一锅煮&法合成了11种含手性吡唑基的1，3，4-噁二唑类化合物(4a-k)和5种含手性吡唑基的三唑并三嗪类化合物(5a-e)。

The intermediate 5-amino-1H-pyrazole-4-carboxylic acid ethyl ester prepared in the first part underwent successively hydrazinolysis, condensations with ketene dithioacetals and alkylations to give rise to the dipyrazolyhnethanes.

从第一部分中的中间体5-氨基-1H-吡唑-4-羧酸乙酯开始，经过肼解、与乙烯酮二硫代缩醛的缩合反应和烷基化反应，合成了二吡唑基甲酮类化合物。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。