21 results about "Reaction sequence" patented technology

An autoencoding device for a synthesizable molecule generative model may include a memory configured to store chemical reaction data, chemical reaction learning information, and molecular structure information; and a processor configured to learn a neural network for a molecular generative model based on the chemical reaction data, the chemical reaction learning information, and the molecular structural information. The molecular generative model may include: a reaction sequence encoder configured to generate a latent space based on the chemical reaction learning information; a seed molecule encoder configured to generate an embedding space based on seed structural information for a seed molecule that is a final product of chemical reaction; and a decoder configured to output a reconstruction reaction sequence by decoding a reaction molecule predictive neural network and a reaction template prediction model generated from the latent space and the embedding space.

The invention relates to the technical field of benzamide, in particular to a preparation process of 4-hydroxythiobenzamide, which comprises the following steps: S1, preparing raw materials: preparing the 4-hydroxythiobenzamide from the following raw materials in parts by weight: 80-100 parts of formic acid, 80-100 parts of hydrochloric acid, 20-30 parts of 4-hydroxybenzaldehyde, 8-12 parts of hydroxylamine hydrochloride, 8-12 parts of thioacetamide and 4-6 parts of sodium hydroxide. According to the preparation method, after 4-hydroxybenzaldehyde is subjected to activating treatment reaction, part of positive charges on aldehyde carbon are dispersed, oxygen atoms in an acetal structure are connected with the aldehyde carbon through covalent bonds to generate an electron withdrawing induction effect, the reaction sequence and the reaction path of the 4-hydroxybenzaldehyde can be controlled through aldehyde activation, and the reaction efficiency of the 4-hydroxybenzaldehyde is improved. Therefore, the generation of byproducts is reduced, and the purity of a reaction product obtained from 4-hydroxybenzaldehyde is improved.

The invention discloses a compound containing a bicyclic hemiketal structure and a preparation method thereof, alkynyl allyl carbonate is used as a raw material, in the presence of a nucleophilic catalyst, alkynyl allyl carbonate reacts with a benzoylacetonitrile derivative, ABB'multi-component reaction is carried out through a continuous [5 + 1] / addition / cyclization reaction sequence, and the compound containing the bicyclic hemiketal structure is obtained. Bicyclic hemiketal derivatives commonly seen in natural product structures are obtained with good to excellent diastereoselectivity. The method has the advantages of good diastereoselectivity products, excellent chemical selectivity, greenness, mild reaction conditions, convenience in operation, few byproducts and the like, the synthesis steps are good in economy, and four chemical bonds and three continuous chiral centers are simultaneously constructed through one-step operation. Meanwhile, the compound with the bicyclic hemiketal structure has important application value in multiple fields of medicinal chemistry, natural product chemistry, traditional Chinese medicine chemistry and the like, and an efficient preparation means and a series of candidate compounds are provided for development of functionality or biological activity of related compounds with the bicyclic hemiketal / hemiacetal structure.

The application belongs to the technical field of nanometer material preparation, and discloses a regulation method for synthesizing copper coordination polymers with different dimensions. The method is to obtain copper coordination polymers with different dimensional morphologies under room temperature conditions by controlling the reaction sequence of copper ion solution, uniform benzenetricarboxylic acid and 4,4-dipyridine and the molar ratio of uniform benzenetricarboxylic acid and 4,4-dipyridine. The synthesis process is simple, the cost is low, the dimension of the morphology is adjustable, large-scale industrial production is possible, and good economic benefits and environmental benefits are achieved.

The invention relates to the technical field of biological information, in particular to a method for establishing a visual model of degradation paths and products of carbohydrates, which comprises the following steps: acquiring chemical structure data of target carbohydrates, standardizing the chemical structure data, and outputting a standardized molecular map; recursively splitting the standardized molecular map, and outputting a candidate intermediate set and a reaction sequence; according to the reaction sequence of the reaction sequence, assembling the candidate intermediate set, and outputting a path diagram; distributing candidate enzymes and species for each step of the path diagram, and outputting a step-enzyme-substance triple; step rating and polymerization splitting are carried out on the step-enzyme-substance triple, and a confidence interval is output; and outputting the degradation path of the target saccharide and a visual model of the product according to the confidence interval. The problems that in the prior art, the product false positive is high, the path cannot be explained, and the consistency with literature / experiment is insufficient are solved.

The present invention discloses a coker gasoline hydrogenation process, comprising the following steps: a coker gasoline feedstock is cut into a light fraction and a heavy fraction; the heavy fraction is mixed with hydrogen and enters a hydrodesulfurization reaction zone, where it contacts a hydrodesulfurization catalyst for a hydrodesulfurization reaction; the hydrodesulfurization reaction effluent is mixed with the light fraction and enters a desiliconization and deolefination reaction zone, where it contacts a silicon scavenger and a hydrodeolefination catalyst for desiliconization and deolefination reactions; the reaction product undergoes gas-liquid separation and enters a fractionation zone, where it is stripped and fractionated to obtain an ethylene cracking material. The process of the present invention deeply and organically combines the reaction fractions, reaction sequence, and various reaction types, controls the reaction depth, balances the reaction heat, maximizes the efficiency of the catalyst in the reaction, reduces device energy consumption, and extends the operating cycle of the coker gasoline hydrogenation device.

In one aspect, the disclosure relates to methods for preparation of intermediates useful for the preparation of terpenoid cores. In a further aspect, the disclosed methods pertain to the preparation of compounds comprising a terpenoid core or scaffold, such as 6 / 7 / 5 tricycloalkanes. The disclosed methods utilize abundant starting materials and simple reaction sequences that can be used to tunably and scalably assemble common terpenoid cores. In various aspects, the present disclosure pertains to compounds prepared using the disclosed methods. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

The invention provides a preparation method of N-(4-(tert-butyl) thiazole-2-yl)-3-fluorobenzamide, which comprises the following steps: mixing a compound as shown in a formula I, N, N-diisopropylethylamine and 2-succinimido-1, 1, 3, 3-tetramethylurea tetrafluoroborate for reaction, then adding a compound as shown in a formula II for amidation reaction, and finally obtaining the N-(4-(tert-butyl) thiazole-2-yl)-3-fluorobenzamide. And reacting the N-(4-(tert-butyl) thiazole-2-yl)-3-fluorobenzamide to obtain the N-(4-(tert-butyl) thiazole-2-yl)-3- According to the preparation method provided by the invention, by innovatively changing the reaction sequence, firstly activating the raw materials and then carrying out amidation reaction, the polarity of by-products is successfully changed, the polarity of main by-products is obviously smaller than that of target products, the products are easy to separate, the column chromatography separation efficiency is greatly improved, the yield is increased, and the post-treatment time is shortened.

The present application relates to the chemical technology field, specifically to a kind of preparation method of high-purity o-vanillin.The method uses o-methoxyphenylamine as starting material, with chloral hydrate and hydroxylamine hydrochloride is condensed, hydroxylamine oximation reaction, and cyclization reaction is carried out under strong acid condition, and compound 2 is generated;Compound 2 is oxidized under strong base condition, and compound 3 is generated;Compound 3 is esterified with primary alcohol to generate corresponding ester, and then reduction hydrogenation reaction is carried out under the action of strong reducing agent, and compound 4 is generated;Compound 4 is reacted with oxidizing agent in the presence of nitroxyl radical catalyst, and compound 5 is generated;Compound 5 carries out diazotization hydrolysis reaction, and o-vanillin is generated.The method avoids the problem of regioselectivity of traditional formylation reaction through specific reaction sequence, eliminates the generation of isomer impurities from the source, realizes the efficient, environmentally friendly, economic synthesis of high-purity o-vanillin, and provides high-quality raw material guarantee for downstream pharmaceutical.

In one aspect, the disclosure relates to methods for preparation of intermediates useful for the preparation of terpenoid cores. In a further aspect, the disclosed methods pertain to the preparation of compounds comprising a terpenoid core or scaffold, such as 6 / 7 / 5 tricycloalkanes. The disclosed methods utilize abundant starting materials and simple reaction sequences that can be used to tunably and scalably assemble common terpenoid cores. In various aspects, the present disclosure pertains to compounds prepared using the disclosed methods. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

The invention discloses an automatic polypeptide reaction system in the technical field of polypeptide synthesis, and the system comprises a synthesis module used for synthesizing polypeptide by using a hydrophobic stator in combination with a liquid phase synthesis technology; the precipitation separation module is used for deprotecting the polypeptide product and separating the polypeptide product; the purification module is used for purifying the polypeptide by using a continuous flow chromatography technology; the extraction module is used for extracting a solid product of the polypeptide; the control module is used for controlling the module equipment to perform polypeptide synthesis reaction; and the pump module is used for driving the solvent to transfer among the modules and pumping an auxiliary reagent for the polypeptide synthesis reaction. The solubility of the polypeptide in a low-polarity organic solvent is improved by adopting a novel hydrophobic stator, the biological activity of the polypeptide is reconstructed by virtue of an orthogonal reaction sequence of a side chain protecting group, and the continuous flow chromatography technology is combined to improve the yield of the polypeptide product and reduce the solvent consumption and PMI, so that the overall production efficiency of polypeptide synthesis is optimized, and the production cost is reduced. The production cost is reduced.

An autoencoding device for a synthesizable molecule generative model according to an exemplary embodiment of the present disclosure may include a memory storing chemical reaction data, chemical reaction learning information, and molecular structure information; and a processor configured to learn a neural network that implements a molecular generative model based on the chemical reaction data, the chemical reaction learning information, and the structural information, wherein the molecular generative model may include: a reaction sequence encoder that generates a latent space based on the chemical reaction learning information; a seed molecule encoder that generates an embedding space based on seed structural information for the seed molecule that is a final product of the chemical reaction; and a decoder that outputs a reconstruction reaction sequence by decoding a reaction molecule predictive neural network and a reaction template prediction model generated from the latent space and the embedding space.

The invention relates to the technical field of nutrient delivery systems, in particular to application of SPI-PD-EGCG to improvement of bioaccessibility of beta-carotene, the SPI-PD-EGCG is a ternary covalent complex, the SPI-PD-EGCG and the beta-carotene are prepared into Pickering emulsion, the SPI-PD-EGCG is prepared through a wet Maillard reaction in combination with alkali treatment, and the SPI-PD-EGCG is prepared into the beta-carotene. The reaction sequence is that the SPI-PD covalent complex is prepared firstly and then the EGCG is covalently bound. The SPI-PD-EGCG stable emulsion disclosed by the invention generates the highest bioaccessibility, and the excellent performance possibly derives from a synergistic mechanism of a reaction sequence: a physical barrier derived from PD regulates interfacial displacement and lipase contact, and the grafted EGCG protects beta-carotene from oxidative degradation in the whole digestion process, and finally, optimal micellization is achieved. In conclusion, the SPI-PD-EGCG ternary covalent composite stable emulsion not only has a good embedding effect and physical and chemical stability, but also has the advantage of promoting absorption of beta-carotene.

The present application relates to the technical field of metal ion chemistry, and provides a method for reducing an azidomethoxy group, a sequencing method, and a kit. The method for reducing the azidomethoxy group provided in the present application comprises: mixing a compound I comprising the azidomethoxy group, a palladium compound, and an organic phosphine to give a mixed system, and placing the mixed system under a condition suitable for a chemical reaction to reduce the azidomethoxy group of the compound I into hydroxy, wherein the azidomethoxy group has a chemical formula of —O—CA1(N3)-A2, and A1 is selected from one of hydrogen, substituted or unsubstituted hydrocarbyl, substituted or unsubstituted cyclic hydrocarbyl, substituted or unsubstituted heteroatom-containing hydrocarbyl, substituted or unsubstituted heteroatom-containing cyclic hydrocarbyl, substituted or unsubstituted aryl, and substituted or unsubstituted heteroaryl. According to the method provided in the present application, the palladium compound is introduced into the reaction system, so that an oxidation-reduction reaction between the azidomethoxy group and the organic phosphine is accelerated.

The application discloses the technical fields of polypeptide synthesis, and discloses an automatic polypeptide reaction system, which comprises a synthesis module, a precipitation separation module, a purification module, an extraction module and a control module.The synthesis module is used for synthesizing polypeptides by using hydrophobic fixators and liquid-phase synthesis technology; the precipitation separation module is used for deprotecting polypeptide products and separating the polypeptide products; the purification module is used for purifying the polypeptide by using continuous flow chromatography technology; the extraction module is used for extracting solid products of the polypeptide; and the control module is used for controlling the above modules to perform polypeptide synthesis reaction; and the pump module is used for driving solvent to be transported between the above modules and pumping auxiliary reagents for polypeptide synthesis reaction.The application adopts a new type of hydrophobic fixator to improve the solubility of polypeptides in low-polarity organic solvents, and by means of orthogonal reaction sequences of side chain protection groups, the biological activity of the polypeptides is reconstructed, the continuous flow chromatography technology is combined to improve the yield of polypeptide products, solvent consumption and PMI are reduced, and thus the overall production efficiency of polypeptide synthesis is optimized, and the production cost is reduced.

The present invention discloses an intelligent reaction sequence control system, including an inlet channel, a reaction chamber, at least two control units and at least two transport channels, wherein the control unit corresponds to the transport channel one by one; the control unit is arranged between the inlet channel and the transport channel, and different control units have different fluid transmembrane pressure thresholds; the transport channel is arranged between the corresponding control unit and the reaction chamber and is used to install different reactants, and the transport fluid is pressurized to pass through different control units in sequence and push the reactants in the corresponding transport channel into the reaction chamber for reaction, thereby realizing intelligent control of the reaction sequence. The control method of the reaction sequence control system based on the present invention has the characteristics of simple control, easy operation, and no need for complex procedures.

The application discloses a method for asymmetric catalytic synthesis of oxygen-containing multi-bridged ring compounds and belongs to the field of organic synthesis. The method uses 2-hydroxycinnamaldehyde or a derivative thereof 1 and beta-nitroketone 2 as raw materials, chiral secondary amine as a catalyst, and reacts in an organic solvent under the action of an organic base; after the reaction is completed, the target product 4 is obtained through silica gel column chromatography separation and purification. The method starts from simple and easily available 2-hydroxycinnamaldehyde or a derivative thereof and nitroketone, completes the synthesis of chiral oxygen-containing multi-bridged ring compounds, has wide substrate applicability, and provides a new method for the construction of multi-substituted oxygen-containing multi-bridged ring and other chiral heterocyclic skeletons. The application develops a new reaction path, realizes the diversified synthesis of chiral bridged ring compounds through an addition / elimination / cyclization reaction sequence in one step, and has the advantages of mild reaction conditions, easily available substrates and catalysts, simple and clean reaction system, and the ability to obtain the target product in a high yield and excellent enantioselectivity.

The invention relates to a preparation method of a PAE wet strength agent with low organochlorine micromolecule content, and belongs to the technical field of papermaking additives. According to the preparation method disclosed by the invention, the crosslinking agent without organic chlorine is prepared by partially modifying the epoxy chloropropane, and the reaction conversion rate of the epoxy chloropropane is improved by regulating and controlling the reaction sequence of the epoxy chloropropane, so that the content of the organic chlorine in the final product is greatly reduced; the prepolymer PCC is modified by using a self-made chain extender, so that the crosslinking density and the charge density of a PCC molecular chain are improved, the defect of the charge density of the molecular chain caused by partial replacement of epoxy chloropropane is overcome, and the adsorption retention rate of the PAE wet strength agent and the fiber surface is ensured.

The invention discloses a method for preparing piperacillin acid. The method is different from the traditional acylation reaction sequence. The method adopts the method of first adding triphosgene and a catalytic amount of trimethylchlorosilane, and then adding alkaline resin and DMAP, thereby reducing the use of trimethylchlorosilane and reducing the generation of dioxypiperazinecarbonyl chloride impurities; using solid acyl chloride to improve the purity of acyl chloride and reduce the introduction of impurities and solvents; using recyclable resin as an acid binding agent in the acylation and condensation steps to avoid the generation of hydrochloride and insoluble gas waste, which is more green and environmentally friendly. In the crystallization step, only ethanol is used as a dispersant, and the finished product is produced at one time. The process is simple and can reduce the growth of degradation impurities during the storage process of the product; the crystallization method of adjusting pH and temperature in stages is conducive to the control of the product crystal form and the sufficient precipitation of crystals, thereby facilitating the improvement of the total yield of the reaction.

The invention relates to the technical field of organic chemistry, and discloses a preparation method of 4-bromine-3-fluorotoluene suitable for industrial production, which comprises the following steps: (a) diazotization and bromination step: taking 3-fluoro-4-aminotoluene as a starting raw material, carrying out diazotization reaction with nitrite under an acidic condition to generate a diazonium salt intermediate, and separating and purifying the diazonium salt intermediate to obtain 4-bromo-3-fluorotoluene; and under the condition of not separating the diazonium salt intermediate, carrying out replacement reaction in the presence of cuprous bromide and hydrobromic acid to generate 3-fluoro-4-bromotoluene. A diazotization-halogenation reaction is combined with an organic metal / electrophilic fluorination reaction, through a specific reaction sequence, high-selectivity fluorination at a specific position of an aromatic ring is successfully realized, generation of isomer impurities is effectively inhibited, the chemical purity of a product is guaranteed from the source, and by introducing a unique multi-stage purification strategy, the purity of the product is greatly improved. Trace metal impurities, fluorine ions and other key impurities can be deeply removed, so that the final product is extremely high in purity and good in chemical stability.

The invention discloses a preparation method of a TNA monomer, and belongs to the technical field of synthesis of medical intermediates. According to the method, the reaction sequence of DMT protecting groups is changed, the DMT protecting groups are directly introduced before docking, then a universal compound 4 is generated, a silicon protection step is omitted, docking reaction can also be carried out, the yield is not influenced, impurities removed from DMT and known products protected by DMT are not found by reasonably controlling a post-treatment mode, and the DMT protecting groups are easy to remove under an acidic condition, so that the method is suitable for industrial production. However, by controlling the reaction and post-treatment conditions, the DMT protection raw material stably exists in the reaction catalyzed by the lewis acid, the problem of acid stability of the DMTr-protection raw material is solved, and four TNA monomers are successfully prepared.