1) nucleophilic addition-condensation reaction
亲核加成-缩合反应
1.
Geometric configurations of reactants and products in nucleophilic addition-condensation reaction of thiosemicarbazide(Ⅰ) with 4-chlorochalcone(Ⅱ) were optimized by means of quantum chemistry DFT/B3LYP/6-31G.
对氨基硫脲与4-氯查尔酮亲核加成-缩合反应的反应物和生成物,用量子化学密度泛函方法在B3LYP/6-31G水平上进行了几何构型全优化,从获得的4-氯查尔酮分子中主要原子的Mulliken净电荷,可以推测该化合物具有较高的亲核加成反应活性。
2) nucleophilic addition reaction
亲核加成反应
1.
Ab initio and DFT(B3LYP) calculations using the 6-31G~(**) basis set were employed to study the mechanism of the nucleophilic addition reaction between silyleneimine and water .
采用量子化学从头算和密度泛函方法在HF/6-31G**及B3LYP/6-31G**水平上对硅甲基亚胺与水间的亲核加成反应机理进行了理论研究。
2.
DFT calculations at the B3LYP/6-311++G(d,p) level were employed to study the mechanism and the potential energy surface of the nucleophilic addition reactions between model compounds of four heavy ketones and water.
采用密度泛函理论(DFT)方法在B3LYP/6-311++G(d,p)水平上对4类重酮体系的模型化合物(H2X=Y,X为Si或Ge,Y为S或Se)与水的亲核加成反应的反应机理和势能剖面进行了理论计算研究,利用Bader的AIM(Atomin Molecules)理论对反应过程进行了电子密度拓扑分析研究。
3) nucleophilic addition
亲核加成反应
1.
In this paper,the nucleophilic addition reactivity ofπ-propargyl,π-allyl palladium intermediate to aldehydes,ketones and imines was investigated.
首次报道了π-炔丙基、π-烯丙基钯中间体对醛、酮和亚胺的亲核加成反应,只得到烯丙基加成产物。
2.
As low CB content aids the nucleophilic addition reaction between epoxy resin and isophorone diisocyanate and subsequently the development of cross-links which will restrict the mobility of polymer matrix and reduce its detrimental effect on electrical conducting networks developed by CB.
当温度低于80℃,低碳含量复合材料(14%和19%,基于聚合物的质量)的温度稳定性较好,这是因为炭黑用量的减少,将有利于环氧树脂与异佛尔酮二异氰酸酯之间亲核加成反应的发生,材料中形成了更多的交联链,在一定程度上限制了聚合物骨架的运动性,降低了其对炭黑形成的导电通路网的破坏作用。
4) nucleophilic addition-saltforming reaction
亲核加成与成盐反应
5) Intermolecular Michael reaction
分子内亲核加成反应
6) halophilic condensation
亲卤缩合反应
1.
In the presence of palladium and dibutyl telluride, the bromo acetoamides and aldehydes can undergo halophilic condensation reaction to afford a stereoselective synthesis of (2E ) -α, β - unsaturated amides.
本文报道了在钯及二丁基碲存在下,溴代乙酰胺与醛的亲卤缩合反应,提供了E型α,β-不饱和酰胺的立体选择合成。
补充资料：亲核加成
亲核加成
有机化学概念,如果进攻试剂本身已不具有获取电子倾向，反而有提供电子能力，如醇、-sh（巯）、胺基与炔反应时，是有提供电子能力的ro-（不是离子，未达到电离程度）先进攻炔键，称亲核加成。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。