Crystallography Open Database

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4514145 CIFC13 H20 N6 O3P -114.5469; 15.1175; 15.4719
85.09; 61.986; 89.869		2990.01Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
ACS combinatorial science, 2017, 19, 343-350
4514146 CIFC17 H20 N6 OP 1 21/c 19.3572; 14.6849; 12.2349
90; 110.771; 90		1571.9Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
ACS combinatorial science, 2017, 19, 343-350
4514147 CIFC18 H22 N6 O3P 1 21/c 19.5857; 14.8105; 13.4801
90; 110.159; 90		1796.52Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
ACS combinatorial science, 2017, 19, 343-350
4514148 CIFC9 H15 N5 OP 1 21/a 112.0138; 11.5538; 16.1111
90; 103.49; 90		2174.6Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
ACS combinatorial science, 2017, 19, 343-350
4514149 CIFC10 H17 N5 OP -111.5385; 13.156; 17.7901
77.4; 89.452; 64.277		2363.18Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
ACS combinatorial science, 2017, 19, 343-350
4514150 CIFC38 H35.94 N10 O6P -111.3633; 12.479; 16.6341
86.351; 72.539; 78.203		2202.5Rao, H. Surya Prakash; Adigopula, Lakshmi Narayana; Ramadas, Krishna
One-Pot Synthesis of Densely Substituted Pyrazolo[3,4-b]-4,7-dihydropyridines.
ACS combinatorial science, 2017, 19, 279-285
4514156 CIFC36 H36 N2 O2P -18.7645; 11.9515; 15.6337
111.859; 95.746; 91.269		1509.1Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij
Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.
ACS combinatorial science, 2017, 19, 386-396
4514157 CIFC28 H34 Cu N2 O2P 1 21 112.4654; 14.3184; 14.1523
90; 93.932; 90		2520.02Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij
Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.
ACS combinatorial science, 2017, 19, 386-396
4514186 CIFC16 H13 N5 O3P b c a10.6055; 14.1632; 20.1734
90; 90; 90		3030.2Rajarathinam, Balakrishnan; Kumaravel, Kandhasamy; Vasuki, Gnanasambandam
"In Water": Organocatalyzed Diastereoselective Multicomponent Reactions toward 2-Azapyrrolizidine Alkaloid Scaffolds.
ACS combinatorial science, 2017, 19, 455-463
4514191 CIFC22 H27 N3 O2P 1 21/c 19.67; 7.9813; 25.577
90; 97.063; 90		1959Hsu, Wei-Shun; Tsai, Min-Huan; Barve, Indrajeet J.; Yellol, Gorakh S.; Sun, Chung-Ming
Synthesis of Aminofuran-Linked Benzimidazoles and Cyanopyrrole-Fused Benzimidazoles by Condition-Based Skeletal Divergence.
ACS combinatorial science, 2017, 19, 492-499
4514227 CIFC31 H31 N3 O4P -110.579; 11.195; 11.534
86.716; 76.764; 88.392		1327.4Ghoshal, Anirban; Yugandhar, Doddapaneni; Nanubolu, Jagadeesh Babu; Srivastava, Ajay Kumar
An Efficient One-Pot Synthesis of Densely Functionalized Fused-Quinolines via Sequential Ugi4CC and Acid-Mediated Povarov-Type Reaction.
ACS combinatorial science, 2017, 19, 600-608
4514287 CIFC18 H17 Cl N2 O5P -19.06; 10.055; 10.287
81.458; 72.948; 86.293		885.8Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.
1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.
ACS combinatorial science, 2017, 19, 633-639
4514288 CIFC29 H31 Cl N2 O6P 1 21/n 115.58; 10.475; 35.3
90; 99.07; 90		5689Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.
1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.
ACS combinatorial science, 2017, 19, 633-639
4514314 CIFC22 H22 Cl N O5P -18.682; 11.0069; 11.5211
110.581; 105.689; 96.208		966.76Lin, Wei; Zheng, Yong-Xiang; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing
Microwave-Assisted Regioselective Synthesis of 3-Functionalized Indole Derivatives via Three-Component Domino Reaction.
ACS combinatorial science, 2017, 19, 708-713
4514375 CIFC16 H20 N6 O SP 1 21/n 19.4004; 10.3302; 17.3152
90; 97.717; 90		1666.22Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra
Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines.
ACS combinatorial science, 2018, 20, 98-105
4514376 CIFC23 H33 N3 O4 SP 1 21/c 119.435; 13.112; 9.575
90; 91.632; 90		2439.02Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra
Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines.
ACS combinatorial science, 2018, 20, 98-105
4514399 CIFC23 H19 N5 O5P -112.1203; 12.6914; 14.9284
92.955; 104.279; 112.139		2034.44Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR.
ACS combinatorial science, 2018, 20, 192-196
4514905 CIFC21 H14 O2 SI 1 a 15.7293; 15.1954; 18.1245
90; 96.688; 90		1567.16Singh, Dileep Kumar; Jang, Kyungkuk; Kim, Jinhwang; Lee, Jeeyeon; Kim, Ikyon
Intramolecular Electrophilic Cyclization Approach to 6-Substituted Naphtho[2,1- b]benzofurans: Novel Dual-State Emissive Fluorophores with Blue Emission.
ACS combinatorial science, 2019, 21, 408-416
4514906 CIFC13 H9 F N2P b c a29.608; 7.135; 10.0478
90; 90; 90		2122.6Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.
Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.
ACS combinatorial science, 2019, 21, 389-399
4514907 CIFC24 H27 N3 O5P 21 21 215.4865; 19.6475; 20.5452
90; 90; 90		2214.69Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.
Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.
ACS combinatorial science, 2019, 21, 389-399
4514908 CIFC13 H9 N3 O2 SP 1 21/c 119.735; 5.187; 25.427
90; 110.875; 90		2432Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.
Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.
ACS combinatorial science, 2019, 21, 389-399
4514909 CIFC16 H14 N2 O SC 1 2/c 128.396; 4.995; 20.877
90; 106.921; 90		2833Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming
Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.
ACS combinatorial science, 2019, 21, 269-275
4514910 CIFC31 H26 N2 O2 SP 4110.0749; 10.0749; 24.547
90; 90; 90		2491.61Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming
Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.
ACS combinatorial science, 2019, 21, 269-275
4514911 CIFC21 H22 N2 O2 SP b c a12.6875; 11.3244; 26.09
90; 90; 90		3748.6Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming
Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.
ACS combinatorial science, 2019, 21, 269-275
4514912 CIFC25 H27 N3 O6P 21 21 215.4995; 18.143; 22.295
90; 90; 90		2224.5Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming
Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.
ACS combinatorial science, 2019, 21, 336-344
4514913 CIFC23 H23 N2 O4 SP -114.811; 16.4734; 19.615
100.872; 90.005; 111.647		4355.7Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming
Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.
ACS combinatorial science, 2019, 21, 336-344
4514914 CIFC19 H20 N2 O6P 1 21 18.2378; 8.6386; 12.0226
90; 99.287; 90		844.35Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming
Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.
ACS combinatorial science, 2019, 21, 336-344
4514915 CIFC19 H20 N2 O6P 21 21 218.2567; 10.4077; 20.4581
90; 90; 90		1758.03Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming
Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.
ACS combinatorial science, 2019, 21, 336-344
4514916 CIFC26 H24 N2 O3 SeP -17.6852; 10.0944; 15.8894
102.737; 102.286; 100.664		1139.46Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.
Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.
ACS combinatorial science, 2019, 21, 456-464
4514917 CIFC15 H16 N2 O2 SeP -15.7091; 11.1223; 12.4991
105.121; 101.686; 98.661		732.73Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.
Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.
ACS combinatorial science, 2019, 21, 456-464
4514918 CIFC20 H23 N5 OP 1 21/c 114.3159; 10.6004; 12.1334
90; 98.394; 90		1821.57Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.
New One-Pot Synthesis of 1,3,5-Triazines: Three-Component Condensation, Dimroth Rearrangement, and Dehydrogenative Aromatization.
ACS combinatorial science, 2019, 21, 548-555
4514919 CIFC21 H16 F3 N4P -18.9672; 13.9684; 14.9369
90.013; 90.036; 96.329		1859.55He, Qiu-Xing; Liang, Yao-Feng; Xu, Chang; Yao, Xiao-Kun; Cao, Hua; Yao, Hua-Gang
Highly Regioselective, Acid-Catalyzed, Three-Component Cascade Reaction for the Synthesis of 2-aminopyridine-Decorated Imidazo[1,2- a]pyridine.
ACS combinatorial science, 2019, 21, 149-153
4515830 CIFC23 H16 N4 OP 1 21/n 112.5286; 9.981; 16.3134
90; 107.132; 90		1949.4Panda, Subhankar; Pradhan, Nirmalya; Manna, Debasis
Ring-Opening of Indoles: An Unconventional Route for the Transformation of Indoles to 1 H-Pyrazoles Using Lewis Acid.
ACS combinatorial science, 2018, 20, 573-578
4515831 CIFC21 H16 N2 O3P 21 21 218.6461; 9.1906; 20.9044
90; 90; 90		1661.12Lei, Jie; Xu, Zhi-Gang; Tang, Dian-Yong; Li, Yong; Xu, Jia; Li, Hong-Yu; Zhu, Jin; Chen, Zhong-Zhu
Acid-Promoted One-Pot Synthesis of Substituted Furan and 6-Methylpyrazin-2(1 H)-one Derivatives via Allene Intermediate Formed in Situ.
ACS combinatorial science, 2018, 20, 292-297
4515832 CIFC13 H11 N3 OI b a 214.7666; 20.376; 7.0357
90; 90; 90		2116.9Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.
A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.
ACS combinatorial science, 2018, 20, 256-260
4515833 CIFC12 H8 Br N3 OP -13.9214; 11.8486; 13.0394
63.424; 86.421; 87.903		540.76Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.
A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.
ACS combinatorial science, 2018, 20, 256-260
4515834 CIFC20 H14 F3 N3 OP 1 21/c 110.0456; 7.8337; 21.6495
90; 100.829; 90		1673.4Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.
A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.
ACS combinatorial science, 2018, 20, 256-260
4515835 CIFC13 H11 N3 OP -19.3064; 9.4101; 12.8642
90.662; 105.308; 100.426		1066.57Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.
A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.
ACS combinatorial science, 2018, 20, 256-260
4515836 CIFC54 H68 N10 O8 S2P -113.3492; 13.7951; 15.3909
92.125; 104.408; 101.959		2673.8Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR.
ACS combinatorial science, 2018, 20, 192-196
4515837 CIFC31 H27 Cl2 N3 O3 SP n a 2129.879; 10.897; 9.1788
90; 90; 90		2988.5Parhizkar, Golnaz; Khosropour, Ahmad Reza; Mohammadpoor-Baltork, Iraj; Parhizkar, Elahehnaz; Amiri Rudbari, Hadi
CsF-Catalyzed Transannulation Reaction of Oxazolones: Diastereoselective Synthesis of Diversified trans- N-(6-Oxo-1,4,5,6-tetrahydropyrimidin-5-yl)benzamides with Arylidene Azlactones and Amidines.
ACS combinatorial science, 2018, 20, 358-365
4515838 CIFC15 H14 N2 OP 1 21/c 115.722; 5.7944; 13.6813
90; 100.711; 90		1224.6Rao, R. Nishanth; Mm, Balamurali; Maiti, Barnali; Thakuria, Ranjit; Chanda, Kaushik
Efficient Access to Imidazo[1,2- a]pyridines/pyrazines/pyrimidines via Catalyst-Free Annulation Reaction under Microwave Irradiation in Green Solvent.
ACS combinatorial science, 2018, 20, 164-171
4515839 CIFC21 H20 N2 O2P b c a16.355; 7.4111; 27.977
90; 90; 90		3391.1Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming
Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.
ACS combinatorial science, 2018, 20, 156-163
4515840 CIFC30 H22 N2 O3P -111.032; 14.107; 15.819
75.643; 83.233; 77.531		2323.4Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming
Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.
ACS combinatorial science, 2018, 20, 156-163
4515841 CIFC14 H12 N2 O2 SP 1 21/n 15.8579; 7.7589; 27.231
90; 90.708; 90		1237.58Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming
Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.
ACS combinatorial science, 2018, 20, 156-163
4515842 CIFC33 H39 N O4P 1 21 114.7787; 5.9377; 16.8849
90; 107.428; 90		1413.66Nongthombam, Geetmani Singh; Borah, Kasmika; Muinao, Thingreila; Silla, Yumnam; Pal, Mintu; Deka Boruah, Hari Prasanna; Boruah, Romesh Chandra
Synthesis of D-Ring Annulated Pyridosteroids from β-Formyl Enamides and Their Biological Evaluations.
ACS combinatorial science, 2019, 21, 11-27
4516795 CIFC34 H34 N2 O4P 1 21/c 114.612; 31.468; 12.38
90; 90.29; 90		5692Asadi, Beheshteh; Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Amiri Rudbari, Hadi
Diastereoselective Synthesis of Symmetrical and Unsymmetrical Tetrahydropyridines Catalyzed by Bi(III) Immobilized on Triazine Dendrimer Stabilized Magnetic Nanoparticles.
ACS combinatorial science, 2017, 19, 356-364
4516796 CIFC29 H22 Cl2 N2 O2 S2P 1 21/c 110.4094; 11.0413; 23.4593
90; 93.015; 90		2692.5Anusha Rani, Mani; Vivek Kumar, Sundaravel; Malathi, Karuppiah; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Ranjith Kumar, Raju
A One-Pot Multicomponent 1,3-Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Dihydrothiophenone-Engrafted Dispiro Hybrid Heterocycles.
ACS combinatorial science, 2017, 19, 308-314
4516797 CIFC21 H19 N3 O3P b c a15.978; 11.3704; 19.168
90; 90; 90		3482.4Yao, Po-Hsin Eric; Kumar, Sunil; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming
Diversity-Oriented Synthesis of Coumarin-Linked Benzimidazoles via a One-Pot, Three-Step, Intramolecular Knoevenagel Cyclization.
ACS combinatorial science, 2017, 19, 271-275
4517187 CIFC27 H24 N4 O SP 1 21/c 115.9136; 8.7495; 17.2835
90; 112.471; 90		2223.77Lu, Hsueh-Yuan; Barve, Indrajeet J.; Selvaraju, Manikandan; Sun, Chung-Ming
One-Pot Synthesis of Unsymmetrical Bis-Heterocycles: Benzimidazole-, Benzoxazole-, and Benzothiazole-Linked Thiazolidines.
ACS combinatorial science, 2019
4517341 CIFC19 H12 Cl Cu N3 O5P -17.7692; 10.2212; 11.985
88.69; 79.375; 70.875		883.07Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier
Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.
ACS combinatorial science, 2020

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