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4楼2013-06-04 11:16:13
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yaolan123

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wangkero: 金币+30, ★★★★★最佳答案, 谢谢您! 2013-06-04 11:15:07
PSA: 金币+3, 3u 2013-06-04 11:20:03
查询结果:共查到319个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     (E)-3-(2-chlorophenyl)-3-[3-(2-chlorophenyl)-1H-1-pyrazolyl]-2-propenal
    相似度:76.4%
Journal of Heterocyclic Chemistry          2011          48          671-677
Ring and side chain formylated pyrazoles from acetophenone azines and Vilsmeier's reagent
Ramaiyan Manikannan and Shanmugam Muthusubramanian
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     compound 5e
    相似度:75%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     2-(p-chlorophenyl)-6-cyano-3-phenylbenzofuran
C21H12ONCl     相似度:75%
Heterocycles          2012          86          1103-1118
RHODIUM-CATALYZED SYNTHESIS OF BENZOFURANS BY THE REACTION OF KETONES AND o-DIFLUOROBENZENES
Mieko Arisawa,* Soichiro Nakane, Manabu Kuwajima, and Masahiko Yamaguchi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     compound 8
C40H24O2Br2     相似度:72.2%
Canadian Journal of Chemistry          2006          84          1487-1503
An examination of VANOL, VAPOL, and VAPOL derivatives as ligands for asymmetric catalytic Diels-Alder reactions1
Douglas P. Heller, Daniel R. Goldberg, Hongqiao Wu, and William D. Wulff
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     compound 5h
C27H20Cl2NO3PS     相似度:72.2%
Journal of Heterocyclic Chemistry          2008          45          103-107


Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     7-amino-5-(2,4-dichlorophenyl)-1,3-dioxo-2-phenyl-1,2,3-dihydropyrazolo[1,2-a][1,2,4]triazole-6-carbonitrile
C18H11Cl2N5O     相似度:72.2%
Heterocycles          2010          81          2063-2073
Ultrasonic-Assisted One-Pot Synthesis of Pyrazolo[1,2-a][1,2,4]triazole-1,3-diones
Davood Azarifar and Razieh Nejat Yami
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     3-{[(4-Fluorophenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one
C21H14N3OF     相似度:70.5%
Molecules          2007          12          2413-2426
Antibacterial Activity of Some 3-(Arylideneamino)-2-phenylquinazoline-4(3H)-ones: Synthesis and Preliminary QSAR Studies
Ashis K. Nanda, Subarna Ganguli and Ranadhir Chakraborty
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     compound 6g
C22H16N4     相似度:70.5%
Archiv der Pharmazie          2002          335          7-14
Synthesis of Imidazo[2,1-a]phthalazines,Potential Inhibitors of p38 MAP Kinase. Prediction of Binding Affinities of Protein Ligands
Sylvie Mavel, Isabelle Thery and Alain Gueiffier
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     (S)-6-Bromo-2,2'-dihydroxy-1,1'-binaphthyl
    相似度:70%
Tetrahedron          2012          68          464-480
Synthesis of modified binol-phosphoramidites
Carl Recsei, Christopher S.P. McErlean
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     2-methyl-3-phenylquinazoline-4(3H)-thione
C15H10Cl2N2S     相似度:68.7%
Molecules          2003          8          756-769
Synthesis and Biological Evaluation of Quinazoline-4-thiones
Lenka Kubicová, Martin Šustr, Katarína Kráľová, Vladimír Chobot, Jitka Vytlačilová, Luděk Jahodář, Pia Vuorela, Miloš Macháček and Jarmila Kaustová
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 7
    相似度:68.7%
Organic letters          2001          3          2129-2131
Synthesis and Crystal Structure of a Tubular Sexithiophene
Michael J. Marsella, Kunsang Yoon, and Fook S. Tham
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     9-benzyl-8-bromo-6-phenyl-purine
C18H13BrN4     相似度:68.7%
Journal of Heterocyclic Chemistry          2005          42          1369-1379
New calcineurin inhibiting 3-dimethylaminopropyl substituted diarylheterocycles by sonogashira reactions and catalytic hydrogenation
Lunxiang Yin,Jürgen Liebscher and Frank Erdmann
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     3-phenyl-1H-naphth[1,2-e][1,3]oxazine
C18H13NO     相似度:68.7%
Journal of Heterocyclic Chemistry          2004          41          367-373
Transformation reactions of the betti base analog aminonaphthols
István Szatmári,Anasztázia Hetényi,László Lázár and Ferenc Fülöp
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     compound 4a
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     compound 4c
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     compound 4e
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     compound 5a
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     compound 3b
C21H15N5O2     相似度:68.7%
Heterocycles          2009          78          2509-2522
Tetrazolium N-Aminides: Complementary Studies on Synthesis and Properties
Dietrich Moderhack and Matthias Noreiks
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     Compound 7
C16H11N3O     相似度:68.7%
Bioorganic & Medicinal Chemistry Letters          2003          13          653-656
Protective effect of imidazolopyrazinone antioxidants on ischemia/reperfusion injury
Axelle Arrault, Marlène Dubuisson, Sonia Gharbi, Cécile Marchand, Tony Verbeuren, Alain Rupin, Alex Cordi, Eliete Bouskela, Jean-François Rees, Jacqueline Marchand-Brynaert
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     2-(ethynylphenyl)-1-(2-naphthyl)-4-phenyl-1-buten-3-yne
    相似度:68.7%
Tetrahedron Letters          2001          42          4099-4102
Photocyclization of a conjugated triaryl ‘Y-enyne’
Bilal R Kaafarani, Douglas C Neckers
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     (S,S)-1,2,5-Triphenylphospholanium tetrafluoroborate salt
C22H22P     相似度:68.7%
Tetrahedron Letters          2004          45          8153-8156
Chiral 1,2,5-triphenylphospholanium tetrafluoroborate as ligand precursor in Rh-catalyzed asymmetric hydrogenation of methyl (Z)-2-acetamidocinnamate
Cristian Dobrota, Martial Toffano, Jean-Claude Fiaud
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     8-Hydroxy-indanyl[c]imidazolo[1,2-a]-azepine-7-carbonitrile
C16H9N3O     相似度:68.7%
Zeitschrift für Naturforschung B          2005          60          106-112
Base Catalyzed Synthesis of Novel Fused-Imidazoles from N-Vinyl-1H-imidazole
A. A. Aly
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     6-Bromo-2,3-diphenylquinoxaline
    相似度:68.7%
Molecules          2012          17          5164-5176
Microwave-assisted Solvent-free Synthesis and in Vitro Antibacterial Screening of Quinoxalines and Pyrido[2, 3b]pyrazines
J. Jesús Morales-Castellanos, Karina Ramírez-Hernández, Nancy S. Gómez-Flores, Oscar R. Rodas-Suárez and Javier Peralta-Cruz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     1-(Naphthalen-2-yl)-2-phenylethane-1,2-dione
C18H12O2     相似度:68.7%
European Journal of Organic Chemistry          2012                   320-328
One-Pot Synthesis of Unsymmetrical Benzils by Oxidative Coupling Using Selenium Dioxide and p-Toluenesulfonic Acid Monohydrate
Md. Rumum Rohman, Icydora Kharkongor, Mantu Rajbangshi, Hormi Mecadon, Badaker M. Laloo, Priti R. Sahu, Iadeishisha Kharbangar and Bekington Myrboh
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     3-phenyl-1H-naphtho[2,1-b]pyran-1-one
    相似度:68.7%
Bioorganic & Medicinal Chemistry          2010          18          1194-1203
β-Naphthoflavone analogs as potent and soluble aryl hydrocarbon receptor agonists: Improvement of solubility by disruption of molecular planarity
Yuji Fujita, Mitsuhiro Yonehara, Masashi Tetsuhashi, Tomomi Noguchi-Yachide, Yuichi Hashimoto, Minoru Ishikawa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)thiazolidine-2,4-dione
C19H13N3O2S     相似度:68.7%
Bioorganic & Medicinal Chemistry          2010          18          2019-2028
Synthesis and biological evaluation of novel pyrazolyl-2, 4-thiazolidinediones as anti-inflammatory and neuroprotective agents
Amal M. Youssef, M. Sydney White, Erika B. Villanueva, Ibrahim M. El-Ashmawy, Andis Klegeris
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     1-(naphthalen-2-yl)-2-phenylethane-1,2-dione
C18H12O2     相似度:68.7%
Tetrahedron          2008          64          7929-7936
Enantioselective monoreduction of different 1,2-diaryl-1,2-diketones catalysed by lyophilised whole cells from Pichia glucozyma
Pilar Hoyos, Giacomo Sansottera, María Fernández, Francesco Molinari, José Vicente Sinisterra, Andrés R. Alcántara
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     9-chloro-2-(4-chlorophenyl)benzo[h][1,6]naphthyridine
C18H10Cl2N2     相似度:68.7%
Journal of Heterocyclic Chemistry          2011          48          301-307
Synthesis of benzo[3,4-h][1,6]naphthyridines via Friedlnder condensation with active methylenes
Ramhari V. Rote, Sandeep M. Bagul, Deepak P. Shelar, Sandeep R. Patil, Raghunath B. Toche and Madhukar N. Jachak
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     2-(4-bromophenyl)-9-chlorobenzo[h][1,6]naphthyridine
C18H10BrClN2     相似度:68.7%
Journal of Heterocyclic Chemistry          2011          48          301-307
Synthesis of benzo[3,4-h][1,6]naphthyridines via Friedlnder condensation with active methylenes
Ramhari V. Rote, Sandeep M. Bagul, Deepak P. Shelar, Sandeep R. Patil, Raghunath B. Toche and Madhukar N. Jachak
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     compound IIk
    相似度:68.7%
Russian Journal of Organic Chemistry          2001          37          1463-1475
Tributyltin Aryl Selenides as Efficient Arylselenating Agents. Synthesis of Diaryl and Aryl Organyl Selenides
I. P. Beletskaya, A. S. Sigeev, A. S. Peregudov and P. V. Petrovskii
Structure      13C NMR   碳谱模拟图
微微一笑
2楼2013-06-03 15:36:11
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fu_jian2008

金虫 (著名写手)

【答案】应助回帖

★ ★
感谢参与,应助指数 +1
PSA: 金币+2, 辛苦 2013-06-04 11:20:31
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
116.954,117.746,127.645,127.837,129.088,129.131,129.884,130.37,130.917,130.963,132.038,134.448,134.635,153.359,153.747,213.929
  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=50%)  




查询结果:共查到3927个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     (E)-3-(2-chlorophenyl)-3-[3-(2-chlorophenyl)-1H-1-pyrazolyl]-2-propenal
    相似度:76.4%
Journal of Heterocyclic Chemistry          2011          48          671-677
Ring and side chain formylated pyrazoles from acetophenone azines and Vilsmeier's reagent
Ramaiyan Manikannan and Shanmugam Muthusubramanian
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

2 .     compound 5e
    相似度:75%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

3 .     2-(p-chlorophenyl)-6-cyano-3-phenylbenzofuran
C21H12ONCl     相似度:75%
Heterocycles          2012          86          1103-1118
RHODIUM-CATALYZED SYNTHESIS OF BENZOFURANS BY THE REACTION OF KETONES AND o-DIFLUOROBENZENES
Mieko Arisawa,* Soichiro Nakane, Manabu Kuwajima, and Masahiko Yamaguchi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     compound 8
C40H24O2Br2     相似度:72.2%
Canadian Journal of Chemistry          2006          84          1487-1503
An examination of VANOL, VAPOL, and VAPOL derivatives as ligands for asymmetric catalytic Diels-Alder reactions1
Douglas P. Heller, Daniel R. Goldberg, Hongqiao Wu, and William D. Wulff
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     compound 5h
C27H20Cl2NO3PS     相似度:72.2%
Journal of Heterocyclic Chemistry          2008          45          103-107


Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

6 .     7-amino-5-(2,4-dichlorophenyl)-1,3-dioxo-2-phenyl-1,2,3-dihydropyrazolo[1,2-a][1,2,4]triazole-6-carbonitrile
C18H11Cl2N5O     相似度:72.2%
Heterocycles          2010          81          2063-2073
Ultrasonic-Assisted One-Pot Synthesis of Pyrazolo[1,2-a][1,2,4]triazole-1,3-diones
Davood Azarifar and Razieh Nejat Yami
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     3-{[(4-Fluorophenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one
C21H14N3OF     相似度:70.5%
Molecules          2007          12          2413-2426
Antibacterial Activity of Some 3-(Arylideneamino)-2-phenylquinazoline-4(3H)-ones: Synthesis and Preliminary QSAR Studies
Ashis K. Nanda, Subarna Ganguli and Ranadhir Chakraborty
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     compound 6g
C22H16N4     相似度:70.5%
Archiv der Pharmazie          2002          335          7-14
Synthesis of Imidazo[2,1-a]phthalazines,Potential Inhibitors of p38 MAP Kinase. Prediction of Binding Affinities of Protein Ligands
Sylvie Mavel, Isabelle Thery and Alain Gueiffier
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     (S)-6-Bromo-2,2'-dihydroxy-1,1'-binaphthyl
    相似度:70%
Tetrahedron          2012          68          464-480
Synthesis of modified binol-phosphoramidites
Carl Recsei, Christopher S.P. McErlean
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

10 .     2-methyl-3-phenylquinazoline-4(3H)-thione
C15H10Cl2N2S     相似度:68.7%
Molecules          2003          8          756-769
Synthesis and Biological Evaluation of Quinazoline-4-thiones
Lenka Kubicová, Martin Šustr, Katarína Kráľová, Vladimír Chobot, Jitka Vytlačilová, Luděk Jahodář, Pia Vuorela, Miloš Macháček and Jarmila Kaustová
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

11 .     compound 7
    相似度:68.7%
Organic letters          2001          3          2129-2131
Synthesis and Crystal Structure of a Tubular Sexithiophene
Michael J. Marsella, Kunsang Yoon, and Fook S. Tham
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

12 .     9-benzyl-8-bromo-6-phenyl-purine
C18H13BrN4     相似度:68.7%
Journal of Heterocyclic Chemistry          2005          42          1369-1379
New calcineurin inhibiting 3-dimethylaminopropyl substituted diarylheterocycles by sonogashira reactions and catalytic hydrogenation
Lunxiang Yin,Jürgen Liebscher and Frank Erdmann
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

13 .     3-phenyl-1H-naphth[1,2-e][1,3]oxazine
C18H13NO     相似度:68.7%
Journal of Heterocyclic Chemistry          2004          41          367-373
Transformation reactions of the betti base analog aminonaphthols
István Szatmári,Anasztázia Hetényi,László Lázár and Ferenc Fülöp
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

14 .     compound 4a
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

15 .     compound 4c
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

16 .     compound 4e
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

17 .     compound 5a
    相似度:68.7%
Journal of Heterocyclic Chemistry          2003          40          885-893
Reactions of isocyanates with methyl N-(cyanothioformyl)anthranilate
L. M. Deck,E. P. Papadopoulos and K. A. Smith
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

18 .     compound 3b
C21H15N5O2     相似度:68.7%
Heterocycles          2009          78          2509-2522
Tetrazolium N-Aminides: Complementary Studies on Synthesis and Properties
Dietrich Moderhack and Matthias Noreiks
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

19 .     Compound 7
C16H11N3O     相似度:68.7%
Bioorganic & Medicinal Chemistry Letters          2003          13          653-656
Protective effect of imidazolopyrazinone antioxidants on ischemia/reperfusion injury
Axelle Arrault, Marlène Dubuisson, Sonia Gharbi, Cécile Marchand, Tony Verbeuren, Alain Rupin, Alex Cordi, Eliete Bouskela, Jean-François Rees, Jacqueline Marchand-Brynaert
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

20 .     2-(ethynylphenyl)-1-(2-naphthyl)-4-phenyl-1-buten-3-yne
    相似度:68.7%
Tetrahedron Letters          2001          42          4099-4102
Photocyclization of a conjugated triaryl ‘Y-enyne’
Bilal R Kaafarani, Douglas C Neckers
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

21 .     (S,S)-1,2,5-Triphenylphospholanium tetrafluoroborate salt
C22H22P     相似度:68.7%
Tetrahedron Letters          2004          45          8153-8156
Chiral 1,2,5-triphenylphospholanium tetrafluoroborate as ligand precursor in Rh-catalyzed asymmetric hydrogenation of methyl (Z)-2-acetamidocinnamate
Cristian Dobrota, Martial Toffano, Jean-Claude Fiaud
Structure      13C NMR   碳谱模拟图

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22 .     8-Hydroxy-indanyl[c]imidazolo[1,2-a]-azepine-7-carbonitrile
C16H9N3O     相似度:68.7%
Zeitschrift für Naturforschung B          2005          60          106-112
Base Catalyzed Synthesis of Novel Fused-Imidazoles from N-Vinyl-1H-imidazole
A. A. Aly
Structure      13C NMR   碳谱模拟图

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23 .     6-Bromo-2,3-diphenylquinoxaline
    相似度:68.7%
Molecules          2012          17          5164-5176
Microwave-assisted Solvent-free Synthesis and in Vitro Antibacterial Screening of Quinoxalines
3楼2013-06-03 15:38:24
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