6-tert-butylsulfanyl-hexan-1-ol | 62296-18-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-tert-butylsulfanyl-hexan-1-ol
• 英文别名: tert.-Butylthiohexanol；1-Hexanol, 6-[(1,1-dimethylethyl)thio]-；6-tert-butylsulfanylhexan-1-ol
• CAS: 62296-18-8
• 化学式: C₁₀H₂₂OS
• 分子量: 190.35
• InChiKey: ZYLQYQKMVPPCRF-UHFFFAOYSA-N

物化性质

• 沸点：
  74-76 °C(Press: 0.05 Torr)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-tert-butylsulfanyl-hexan-1-ol 在 次氯酸叔丁酯 作用下， 以 甲醇 为溶剂， 生成 tert.-Butylhydroxyhexylsulfoxid
  参考文献：
  名称：

  Sharma,N.K. et al., Canadian Journal of Chemistry, 1976, vol. 54, p. 3012 - 3025

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氯-1-己醇 、 叔丁基硫醇 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 6-tert-butylsulfanyl-hexan-1-ol
  参考文献：
  名称：

  Sharma,N.K. et al., Canadian Journal of Chemistry, 1976, vol. 54, p. 3012 - 3025

  摘要：

  DOI：

文献信息

• Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use
  申请人：Sankyo Company Limited

  公开号：EP0536936A1

  公开（公告）日：1993-04-14

  Compounds of formula (I): [in which: R¹, R² and R³ are the same or different and each represents a hydrogen atom, an optionally substituted alkanoyl group or an alkenylcarbonyl group, provided that at least one of R¹, R² and R³ represents an unsubstituted alkanoyl group having from 5 to 24 carbon atoms, said substituted alkanoyl group or said alkenylcarbonyl group; and one of R⁴ and R⁵ represents a hydrogen atom and the other represents a cyano group]; have valuable anti-tumour activity.

  式子（I）的化合物：[其中：R¹、R²和R³相同或不同，每个代表氢原子、可选取代的脂肪酰基团或烯基羰基团，前提是至少有一个R¹、R²和R³代表有5到24个碳原子的未取代脂肪酰基团，或者是所述取代的脂肪酰基团或所述烯基羰基团；R⁴和R⁵中的一个代表氢原子，另一个代表氰基]，具有有价值的抗肿瘤活性。
• [DE] 1-AMINO-3-BENZYLURACILE<br/>[EN] 1-AMINO-3-BENZYLURACILS<br/>[FR] 1-AMINO-3-BENZYLURACILES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：WO1997001543A1

  公开（公告）日：1997-01-16

  (DE) 1-Amino-3-benzyluracile (I) und deren Salze (R1 = Halogen; R2, R3 = H, CN, SCN, Halogen, C1-C4-Halogenalkyl, C1-C4-Halogenalkoxy, C1-C4-Halogenalkylthio; R4 = R3 + C1-C4-Alkyl, C1-C4-Alkoxy, C1-C6-Alkyl-NH-CO-; R5 = H, CN, NO2, OH, Halogen, gegebenenfalls substituiertes NH2, gegebenenfalls subst. C1-C6-Halogenalkoxy, C1-C6-Halogenalkylthio, C1-C6-Alkoxy, C1-C6-Alkylthio, C3-C8-Cycloalkoxy, C3-C8-Cycloalkylthio, C3-C6-Alkenyloxy, C3-C6-Alkenylthio, C3-C6-Alkinyloxy, C3-C6-Alkinylthio, C1-C6-Alkyl-COO-, C1-C6-Alkyl-COS-, C3-C6-Alkenyl-COO-, C3-C6-Alkenyl-COS-, C3-C6-Alkinyl-COO-, C3-C6-Alkinyl-COS-, C1-C6-Alkyl-SO2-O- oder C1-C6-Alkyl-SO2-; R6 = 1) H, OH, SH, Halogen, C1-C6-Halogenalkoxy, C1-C6-Halogenalkylthio, C1-C6-Alkylthio-(C1-C6-alkyl)carbonyl, C1-C6-Alkyliminooxy-CO-, 2) gegebenenfalls subst. C1-C6-Alkoxy, C1-C6-Alkylthio, C3-C8-Cycloalkoxy, C3-C8-Cycloalkylthio, C2-C6-Alkenyloxy, C2-C6-Alkenylthio, C2-C6-Alkinyloxy, C2-C6-Alkinylthio, C1-C6-Alkyl-COO-, C2-C6-Alkyl-COS-, C1-C6-Alkoxy-COO-, C2-C6-Alkenyl-COO-, C2-C6-Alkenyl-COS-, C2-C6-Alkinyl-COO-, C2-C6-Alkinyl-COS-, C1-C6-Alkyl-SO2-O-, C1-C6-Alkyl-SO2-, 3) -CY-R11 Y = -O-, -S-, gegebenenfalls subst. -NH-}, -C(R11)(Z1R12)(Z2R13) Z1, Z2 = -O-, -S-}, -C(R11)=C(R14)-CN, -C(R11)=C(R14)-CO-R15, -CH(R11)-CH(R14)-CO-R15, -C(R11)=C(R14)-CH2-CO-R15, -C(R11)=C(R14)-C(R16)=C(R17)-CO-R15, -C(R11)=C(R14)-CH2-CH(R18)-CO-R15, -CO-OR19, -CO-SR19, -CO-N(R19)-OR20, -C$m(0)C-CO-NH-OR20, -C$m(0)C-CO-N(R19)-OR20, -C$m(0)C-CS-NH-OR20, -C$m(0)C-CS-N(R19)-OR20, -C(R11)=C(R14)-CO-NH-OR20, -C(R11)=C(R14)-CO-N(R19)-OR20, -C(R11)=C(R14)-CS-NH-OR20, -C(R11)=C(R14)-CS-N(R19)-OR20, -C(R11)=C(R14)-C(R21)=N-OR20, -C(R21)=N-OR20, -C$m(0)C-C(R21)=N-OR20, -C(Z1R12)(Z2R13)-OR19, -C(Z1R12) (Z2R13)-SR19, -C(Z1R12) (Z2R13)-N(R23)R24, gegebenenfalls substituiertes Amino oder -CONH2, Azaheterocyclyl, -CO-Azaheterocyclyl, (N + O oder N + O + S) Heterocyclyl enthaltende Kette); als Herbizide, zur Dessikation/Defoliation von Pflanzen.(EN) The invention concerns 1-amino-3-benzyluracils of formula (I) and their salts. In said formula (I), R1 = halogen; R2, R3 = H, CN, SCN, halogen, C1¿-C¿4-alkyl halide, C1-C4-alkoxy halide, C1-C4-alkylthio halide; R4 = R3 + C1-C4-alkyl, C1-C4-alkoxy, C1-C6-alkyl-NH-CO-; R5 = H, CN, NO2, OH, halogen, optionally substituted NH2, optionally substituted C1-C6-alkoxy halide, C1-C6-alkylthio halide, C1-C6-alkoxy, C1-C6-alkylthio, C3-C8-cycloalkoxy, C3-C8-cycloalkylthio, C3-C6-alkenyloxy, C3-C6-alkenylthio, C3-C6-alkinyloxy, C3-C6-alkinylthio, C1-C6-alkyl-COO-, C1-C6-alkyl-COS-, C3-C6-alkenyl-COO-, C3-C6-alkenyl-COS-, C3-C6-alkinyl-COO-, C3-C6-alkinyl-COS-, C1-C6-alkyl-SO2-O- or C1-C6-alkyl-SO2-; R6 = 1) H, OH, SH, halogen, C1-C6-alkoxy halide, C1C6-alkylthio halide, C1-C6-alkylthio-(C1-C6-alkyl)carbonyl, C1-C6-alkyliminooxy-CO-, 2) optionally substituted C1C6-alkoxy, C1-C6-alkylthio, C3-C8-cycloalkoxy, C3-C8-cycloalkylthio, C2-C6-alkenyloxy, C2-C6-alkenylthio, C2-C6-alkinyloxy, C2-C6-alkinylthio, C1-C6-alkyl-COO-, C2-C6-alkyl-COS-, C1-C6-alkoxy-COO-, C2-C6-alkenyl-COO-, C2-C6-alkenyl-COS-, C2-C6-alkinyl-COO-, C2-C6-alkinyl-COS-, C1-C6-alkyl-SO2-O-, C1-C6-alkyl-SO2-, 3) -CY-R11 Y = -O-, -S-, optionally substituted -NH-}, -C(R11)(Z1R12)(Z2R13) Z1, Z2 = -O-, -S-}, -C(R11)=C(R14)-CN, -C(R11)=C(R14)-CO-R15, -CH(R11)-CH(R14)-CO-R15, -C(R11)=C(R14)-CH2-CO-R15, -C(R11)=C(R14)-C(R16)=C(R17)-CO-R15, -C(R11)=C(R14)-CH2-CH(R18)-CO-R15, -CO-OR19, -CO-SR19, -CO-N(R19)-OR20, -C$m(0)C-CO-NH-OR20, -C$m(0)C-CO-N(R19)-OR20, -C$m(0)C-CS-NH-OR20, -C$m(0)C-CS-N(R19)-OR20, -C(R11)=C(R14)-CO-NH-OR20, -C(R11)=C(R14)-CO-N(R19)-OR20,-C(R11)=C(R14)-CS-NH-OR20, -C(R11)=C(R14)-CS-N(R19)-OR20, -C(R11)=C(R14)-C(R21)=N-OR20, -C(R21)=N-OR20, -C$m(0)C-C(R21)=N-OR20, -C(Z1R12)(Z2R13)-OR19, -C(Z1R12)(Z2R13)-SR19, -C(Z1R12)(Z2R13)-N(R23)R24, optionally substituted amino or -CONH2, azaheterocyclyl, -CO-azaheterocyclyl, or a chain comprising (N + O or N + O + S) heterocyclyl. These compounds can be used as herbicides for desiccating/defoliating plants.(FR) L'invention concerne des 1-amino-3-benzyluraciles de la formule (I) et leurs sels. Dans ladite formule (I), R1 représente de l'halogène; R2, R3 représentent H, CN, SCN, halogène, halogénure d'alkyle C1-C4, halogénure d'alcoxy C1-C4, halogénure d'alkylthio C1-C4; R4 représente R3 + alkyle C1-C4, alcoxy C1-C4, alkyle C1-C6 -NH-CO-; R5 représente H, CN, NO2, OH, halogène, NH2 éventuellement substitué, halogénure d'alcoxy C1-C6 éventuellement substitué, halogénure d'alkylthio C1-C6, alcoxy C1-C6, alkylthio C1-C6, cycloalcoxy C3-C8, cycloalkylthio C3-C8, alcényloxy C3-C6, alcénylthio C3-C6, alkinyloxy C3-C6, alkinylthio C3-C6, alkyle C1-C6-COO-, alkyle C1-C6-COS-, alcényle C3-C6-COO-, alcényle C3-C6-COS-, alkinyle C3-C6-COO-, alkinyle C3-C6-COS-, alkyle C1-C6-SO2-O- ou alkyle C1-C6-SO2-; R6 représente 1) H, OH, SH, halogène, halogénure d'alcoxy C1-C6, halogénure d'alkylthio C1-C6, alkylthio C1-C6-(alkyle C1-C6) carbonyle, alkyliminooxy C1-C6-CO-, 2) alcoxy C1-C6 éventuellement substitué, alkylthio C1-C6, cycloalcoxy C3-C8, cycloalkylthio C3-C8, alcényloxy C2-C6, alcénylthio C2-C6, alkinyloxy C2-C6, alkinylthio C2-C6, alkyle C1-C6-COO-, alkyle C2-C6-COS, alcoxy C1-C6-COO-, alcényle C2-C6-COO-, alcényle C2-C6 -COS-, alkinyle C2-C6-COO-, alkinyle C2-C6 -COS-, alkyle C1-C6-SO2-O-, alkyle C1-C6-SO2-, 3) -CY-R11 Y = -O-, -S-, -NH- éventuellement substitué}, -C(R11)(Z1R12)(Z2R13) Z1, Z2 = -O-, -S-}, -C(R11)=C(R14)-CN, -C(R11)=C(R14)-CO-R15, -CH(R11)-CH(R14)-CO-R15, -C(R11)=C(R14)-CH2-CO-R15, -C(R11)=C(R14)-C(R16)=C(R17)-CO-R15, -C(R11)=C(R14)-CH2-CH(R18)-CO-R15, -CO-OR19, -CO-SR19, -CO-N(R19)-OR20, -C$m(0)C-CO-NH-OR20, -C$m(0)C-CO-N(R19)-OR20, -C$m(0)C-CS-NH-OR20, -C$m(0)C-CS-N(R19)-OR20, -C(R11)=C(R14)-CO-NH-OR20, -C(R11)=C(R14)-CO-N(R19)-OR20, -C(R11)=C(R14)-CS-NH-OR20, -C(R11)=C(R14)-CS-N(R19)-OR20, -C(R11)=C(R14)-C(R21)=N-OR20, -C(R21)=N-OR20, -C$m(0)C-C(R21)=N-OR20, -C(Z1R12)(Z2R13)-OR19, -C(Z1R12)(Z2R13)-SR19, -C(Z1R12)(Z2R13)-N(R23)R24, amino éventuellement substitué ou -CONH2, azahétérocyclyle, -CO-azahétérocyclyle, ou une chaîne comprenant de un hétérocyclyle (N + O ou N + O + S). Ces composés chimiques peuvent être utilisés comme herbicides pour la dessication/défoliation des plantes.

  （DE）1-氨基-3-苯并嘧啶尿嘧啶（I）及其衍生物的盐类（R1 = 卤素；R2, R3 = H, CN, SCN, 卤素, C1-C4卤代烷基, C1-C4卤代烷氧基, C1-C4卤代烷硫基; R4 = R3 + C1-C4烷基, C1-C4烷氧基, C1-C6-NH-CO-烷基; R5 = H, CN, NO2, OH, 卤素, 可能是取代的NH2, 可能是取代的C1-C6卤代烷氧基, C1-C6卤代烷硫基, C1-C6烷氧基, C1-C6烷硫基, C3-C8环烷氧基, C3-C8环烷硫基, C3-C6烯基氧基, C3-C6烯基硫基, C3-C6炔基氧基, C3-C6炔基硫基, C1-C6烷基-COO-, C1-C6烷基-COS-, C3-C6烯基-COO-, C3-C6烯基-COS-, C3-C6炔基-COO-, C3-C6炔基-COS-, C1-C6烷基-SO2-O-或C1-C6烷基-SO2-; R6 = 1) H, OH, SH, 卤素, C1-C6卤代烷氧基, C1-C6卤代烷硫基, C1-C6烷硫基-(C1-C6烷基)羰基, C1-C6烷基亚胺氧基-CO-, 2) 可能是取代的C1-C6烷氧基, C1-C6烷硫基, C3-C8环烷氧基, C3-C8环烷硫基, C2-C6烯基氧基, C2-C6烯基硫基, C2-C6炔基氧基, C2-C6炔基硫基, C1-C6烷基-COO-, C2-C6烷基-COS-, C1-C6烷氧基-COO-, C2-C6烯基-COO-, C2-C6烯基-COS-, C2-C6炔基-COO-, C2-C6炔基-COS-, C1-C6烷基-SO2-O-, C1-C6烷基-SO2-, 3) -CY-R11 Y = -O-, -S-, 可能是取代的-NH-}, -C(R11)(Z1R12)(Z2R13) Z1, Z2 = -O-, -S-}, -C(R11)=C(R14)-CN, -C(R11)=C(R14)-CO-R15, -CH(R11)-CH(R14)-CO-R15, -C(R11)=C(R14)-CH2-CO-R15, -C(R11)=C(R14)-C(R16)=C(R17)-CO-R15, -C(R11)=C(R14)-CH2-CH(R18)-CO-R15, -CO-OR19, -CO-SR19, -CO-N(R19)-OR20, -C(*)(0)C-CO-NH-OR20, -C(*)(0)C-CO-N(R19)-OR20, -C(*)(0)C-CS-NH-OR20, -C(*)(0)C-CS-N(R19)-OR20, -C(R11)=C(R14)-CO-NH-OR20, -C(R11)=C(R14)-CO-N(R19)-OR20, -C(R11)=C(R14)-CS-NH-OR20, -C(R11)=C(R14)-CS-N(R19)-OR20, -C(R11)=C(R14)-C(R21)=N-OR20, -C(R21)=N-OR20, -C(*)(0)C-C(R21)=N-OR20, -C(Z1R12)(Z2R13)-OR19, -C(Z1R12)(Z2R13)-SR19, -C(Z1R12)(Z2R13)-N(R23)R24, 可能是取代的氨基或-CONH2, 含氮杂环基, -CO-含氮杂环基, 或包含（N + O或N + O + S）的杂环基链）。这些化合物可用作除草剂，用于植物的脱水/脱叶。 （EN）The invention concerns 1-amino-3-benzyluracils of formula (I) and their salts. In said formula (I), R1 = halogen; R2, R3 = H, CN, SCN, halogen, C1-C4-alkyl halide, C1-C4-alkoxy halide, C1-C4-alkylthio halide; R4 = R3 + C1-C4-alkyl, C1-C4-alkoxy, C1-C6-alkyl-NH-CO-; R5 = H, CN, NO2, OH, halogen, optionally substituted NH2, optionally substituted C1-C6-alkoxy halide, C1-C6-alkylthio halide, C1-C6-alkoxy, C1-C6-alkylthio, C3-C8-cycloalkoxy, C3-C8-cycloalkylthio, C3-C6-alkenyloxy, C3-C6-alkenylthio, C3-C6-alkinyloxy, C3-C6-alkinylthio, C1-C6-alkyl-COO-, C1-C6-alkyl-COS-, C3-C6-alkenyl-COO-, C3-C6-alkenyl-COS-, C3-C6-alkinyl-COO-, C3-C6-alkinyl-COS-, C1-C6-alkyl-SO2-O- or C1-C6-alkyl-SO2-; R6 = 1) H, OH, SH, halogen, C1-C6-alkoxy halide, C1-C6-alkylthio halide, C1-C6-alkylthio-(C1-C6-alkyl)carbonyl, C1-C6-alkyliminooxy-CO-, 2) optionally substituted C1-C6-alkoxy, C1-C6-alkylthio, C3-C8-cycloalkoxy, C3-C8-cycloalkylthio, C2-C6-alkenyloxy, C2-C6-alkenylthio, C2-C6-alkinyloxy, C2-C6-alkinylthio, C1-C6-alkyl-COO-, C2-C6-alkyl-COS-, C1-C6-alkoxy-COO-, C2-C6-alkenyl-COO-, C2-C6-alkenyl-COS-, C2-C6-alkinyl-COO-, C2-C6-alkinyl-COS-, C1-C6-alkyl-SO2-O-, C1-C6-alkyl-SO2-, 3) -CY-R11 Y = -O-, -S-, optionally substituted -NH-}, -C(R11)(Z1R12)(Z2R13) Z1, Z2 = -O-, -S-}, -C(R11)=C(R14)-CN, -C(R11)=C(R14)-CO-R15, -CH(R11)-CH(R14)-CO-R15, -C(R11)=C(R14)-CH2-CO-R15, -C(R11)=C(R14)-C(R16)=C(R17)-CO-R15, -C(R11)=C(R14)-CH2-CH(R18)-CO-R15, -CO-OR19, -CO-SR19, -CO-N(R19)-OR20, -C$(m)(0)C-CO-NH-OR20, -C$(m)(0)C-CO-N(R19)-OR20, -C$(m)(0)C-CS-NH-OR20, -C$(m)(0)C-CS-N(R19)-OR20, -C(R11)=C(R14)-CO-NH-OR20, -C(R11)=C(R14)-CO-N(R19)-OR20, -C(R11)=C(R14)-CS-NH-OR20, -C(R11)=C(R14)-CS-N(R19)-OR20, -C(R11)=C(R14)-C(R21)=N-OR20, -C(R21)=N-OR20, -C$(m)(0)C-C(R21)=N-OR20, -C(Z1R12)(Z2R13)-OR19, -C(Z1R12)(Z2R13)-SR19, -C(Z1R12)(Z2R13)-N(R23)R24, optionally substituted amino or -CONH2, azaheterocyclyl, -CO-azaheterocyclyl, or a chain comprising (N + O or N + O + S) heterocyclyl. These compounds can be used as herbicides for desiccating/defoliating plants. （FR）L'invention concerne des 1-amino-3-benzyluraciles de la formule (I) et leurs sels. Dans ladite formule (I), R1 représente de l'halogène; R2, R3 représentent H, CN, SCN, halogène, halogénure d'alkyle C1-C4, halogénure d'alcoxy C1-C4, halogénure d'alkylthio C1-C4; R4 représente R3 + alkyle C1-C4, alcoxy C1-C4, alkyle C1-C6 -NH-CO-; R5 Represents H, CN, NO2, OH, halogène, NH2 éventuellement substitué, halogénure d'alcoxy C1-C6 éventuellement substitué, halogénure d'alkylthio C1-C6, alcoxy C1-C6, alkylthio C1-C6, cycloalcoxy C3-C8, cycloalkylthio C3-C8, alcényloxy C3-C6, alcénylthio C3-C6, alkinyloxy C3-C6, alkinylthio C3-C6, alkyle C1-C6-COO-, alkyle C1-C6-COS-, alcényle C3-C6-COO-, alcényle C3-C6-COS-, alkinyle C3-C6-COO-, alkinyle C3-C6-COS-, alkyle C1-C6-SO2-O- ou alkyle C1-C6-SO2-; R6 représente 1) H, OH, SH, halogène, halogénure d'alcoxy C1-C6, halogénure d'alkylthio C1-C6, alkylthio C1-C6-(alkyle C1-C6) carbonyle, alkyliminooxy C1-C6-CO-, 2) alcoxy C1-C6 éventuellement substitué, alkylthio C1-C6, cycloalcoxy C3-C8, cycloalkylthio C3-C8, alcényloxy C2-C6, alcénylthio C2-C6, alkinyloxy C2-C6, alkinylthio C2-C6, alkyle C1-C6-COO-, alkyle C2-C6-COS, alcoxy C1-C6-COO-, alcényle C2-C6-COO-, alcényle C2-C6-COS-, alkinyle C2-C6-COO-, alkinyle C2-C6-COS-, alkyle C1-C6-SO2-O-, alkyle C1-C6-SO2-, 3) -CY-R11 Y = -O-, -S-, -NH- éventuellement substitué}, -C(R11)(Z1R12)(Z2R13) Z1, Z2 = -O-, -S-}, -C(R11)=C(R14)-CN, -C(R11)=C(R14)-CO-R15, -CH(R11)-CH(R14)-CO-R15, -C(R11)=C(R14)-CH2-CO-R15, -C(R11)=C(R14)-C(R16)=C(R17)-CO-R15, -C(R11)=C(R14)-CH2-CH(R18)-CO-R15, -CO-OR19, -CO-SR19, -CO-N(R19)-OR20, -C$(m)(0)C-CO-NH-OR20, -C$(m)(0)C-CO-N(R19)-OR20, -C$(m)(0)C-CS-NH-OR20, -C$(m)(0)C-CS-N(R19)-OR20, -C(R11)=C(R14)-CO-NH-OR20, -C(R11)=C(R14)-CO-N(R19)-OR20, -C(R11)=C(R14)-CS-NH-OR20, -C(R11)=C(R14)-CS-N(R19)-OR20, -C(R11)=C(R14)-C(R21)=N-OR20, -C(R21)=N-OR20, -C$(m)(0)C-C(R21)=N-OR20, -C(Z1R12)(Z2R13)-OR19, -C(Z1R12)(Z2R13)-SR19, -C(Z1R12)(Z2R13)-N(R23)R24, amino éventuellement substitué ou -CONH2, azahétérocyclyle, -CO-azahétérocyclyle, ou une chaîne comprenant de un hétérocyclyle (N + O ou N + O + S). Ces composés chimiques peuvent être utilisés comme herbicides pour la dessication/défoliation des plantes.
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• Photocatalytic initiation of thiol–ene reactions: synthesis of thiomorpholin-3-ones
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  日期：2014.7
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