Filename stringlengths 10 43 | SMILES stringlengths 3 471 | Page_in_file_mol float64 0 489 | Page_in_file_para int64 0 489 | Location_in_page_mol stringlengths 37 45 | Location_in_page_para stringlengths 37 61 | NMR_type stringclasses 11
values | NMR_frequency stringlengths 3 38 | NMR_solvent stringclasses 17
values | NMR_shift_text stringlengths 1 1.36k | NMR_note stringlengths 2 352 ⌀ | NMR_processed stringlengths 17 2.43k | Atom_number int64 1 244 | Atom_number_diff_env int64 1 118 | Atom_number_abstract float64 0.07 244 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc(F)cc3)=NS2(=O)=O)cc1 | 11 | 11 | [0.44240792 0.47265629 0.55949964 0.59765629] | [0.07511545 0.60820315 0.92679215 0.67226564] | 1H NMR | 300 MHz | CDCl3 | 6.48 (s, 1H), 7.17-7.23 (m, 2H), 7.37-7.42 (m, 10H), 8.59-8.63 (m, 2H) | null | [('s', [], '1H', 6.48, 6.48), ('m', [], '2H', 7.23, 7.17), ('m', [], '10H', 7.42, 7.37), ('m', [], '2H', 8.63, 8.59)] | 15 | 6 | 15 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc(F)cc3)=NS2(=O)=O)cc1 | 11 | 11 | [0.44240792 0.47265629 0.55949964 0.59765629] | [0.07511545 0.60820315 0.92679215 0.67226564] | 13C NMR | 125 MHz | CDCl3 | 63.7, 117.0 (d, JC-F = 22.5 Hz), 123.2, 123.3, 128.8, 128.9, 129.0, 135.2, 135.3, 135.4, 155.7, 168.9 (d, JC-F = 261.3 Hz) | null | [(63.7, None, None), (117.0, 'd', 22.5), (123.2, None, None), (123.3, None, None), (128.8, None, None), (128.9, None, None), (129.0, None, None), (135.2, None, None), (135.3, None, None), (135.4, None, None), (155.7, None, None), (168.9, 'd', 261.3)] | 21 | 11 | 12 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3cccc(F)c3)=NS2(=O)=O)cc1 | 12 | 12 | [0.42749531 0.10644532 0.57330763 0.21132814] | [0.07456314 0.22343751 0.92458289 0.28671877] | 1H NMR | 300 MHz | CDCl3 | 6.49 (s, 1H), 7.37-7.53 (m, 12H), 8.24-8.28 (m, 1H), 8.34-8.38 (m, 1H) | null | [('s', [], '1H', 6.49, 6.49), ('m', [], '12H', 7.53, 7.37), ('m', [], '1H', 8.28, 8.24), ('m', [], '1H', 8.38, 8.34)] | 15 | 8 | 15 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3cccc(F)c3)=NS2(=O)=O)cc1 | 12 | 12 | [0.42749531 0.10644532 0.57330763 0.21132814] | [0.07456314 0.22343751 0.92458289 0.28671877] | 13C NMR | 125 MHz | CDCl3 | 63.9, 118.7 (d, JC-F = 25.0 Hz), 123.4 (d, JC-F = 21.3 Hz), 128.1, 128.5, 128.6, 128.9, 129.0, 131.1 (d, JC-F = 7.5 Hz), 135.3, 155.3, 162.6 (d, JC-F = 247.5 Hz), 162.9 | null | [(63.9, None, None), (118.7, 'd', 25.0), (123.4, 'd', 21.3), (128.1, None, None), (128.5, None, None), (128.6, None, None), (128.9, None, None), (129.0, None, None), (131.1, 'd', 7.5), (135.3, None, None), (155.3, None, None), (162.6, 'd', 247.5), (162.9, None, None)] | 21 | 13 | 13 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc(Cl)cc3)=NS2(=O)=O)cc1 | 12 | 12 | [0.44240792 0.49609379 0.55949964 0.62109375] | [0.07401082 0.63359378 0.92568747 0.69765626] | 1H NMR | 300 MHz | CDCl3 | 6.48 (s, 1H), 7.37-7.43 (m, 10H), 7.49 (d, J = 8.7 Hz, 2H), 8.49 (d, J = 8.7 Hz, 2H) | null | [('s', [], '1H', 6.48, 6.48), ('m', [], '10H', 7.43, 7.37), ('d', ['8.7Hz'], '2H', 7.49, 7.49), ('d', ['8.7Hz'], '2H', 8.49, 8.49)] | 15 | 6 | 15 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc(Cl)cc3)=NS2(=O)=O)cc1 | 12 | 12 | [0.44240792 0.49609379 0.55949964 0.62109375] | [0.07401082 0.63359378 0.92568747 0.69765626] | 13C NMR | 125 MHz | CDCl3 | 63.8, 125.2, 128.8, 128.9, 129.0, 129.9, 133.4, 135.3, 143.4, 155.6, 162.8 | null | [(63.8, None, None), (125.2, None, None), (128.8, None, None), (128.9, None, None), (129.0, None, None), (129.9, None, None), (133.4, None, None), (135.3, None, None), (143.4, None, None), (155.6, None, None), (162.8, None, None)] | 21 | 11 | 11 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3cccc(Cl)c3)=NS2(=O)=O)cc1 | 13 | 13 | [0.42528602 0.10664063 0.57551694 0.21035158] | [0.07401082 0.22226563 0.92347821 0.28632813] | 1H NMR | 300 MHz | CDCl3 | 6.49 (s, 1H), 7.37-7.50 (m, 11H), 7.66-7.70 (m, 1H), 8.42-8.45 (m, 1H), 8.55 (s, 1H) | null | [('s', [], '1H', 6.49, 6.49), ('m', [], '11H', 7.5, 7.37), ('m', [], '1H', 7.7, 7.66), ('m', [], '1H', 8.45, 8.42), ('s', [], '1H', 8.55, 8.55)] | 15 | 8 | 15 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3cccc(Cl)c3)=NS2(=O)=O)cc1 | 13 | 13 | [0.42528602 0.10664063 0.57551694 0.21035158] | [0.07401082 0.22226563 0.92347821 0.28632813] | 13C NMR | 125 MHz | CDCl3 | 63.9, 128.4, 128.9, 129.0, 130.2, 130.6, 131.8, 135.2, 135.6, 136.1, 155.3, 162.9 | null | [(63.9, None, None), (128.4, None, None), (128.9, None, None), (129.0, None, None), (130.2, None, None), (130.6, None, None), (131.8, None, None), (135.2, None, None), (135.6, None, None), (136.1, None, None), (155.3, None, None), (162.9, None, None)] | 21 | 13 | 12 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc(Br)cc3)=NS2(=O)=O)cc1 | 13 | 13 | [0.44185558 0.46640627 0.56005198 0.59296879] | [0.07401082 0.60468754 0.92458289 0.66718754] | 1H NMR | 300 MHz | CDCl3 | 6.48 (s, 1H), 7.38-7.42 (m, 10H), 7.67 (d, J = 8.7 Hz, 2H), 8.40 (d, J = 8.7 Hz, 2H) | null | [('s', [], '1H', 6.48, 6.48), ('m', [], '10H', 7.42, 7.38), ('d', ['8.7Hz'], '2H', 7.67, 7.67), ('d', ['8.7Hz'], '2H', 8.4, 8.4)] | 15 | 6 | 15 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc(Br)cc3)=NS2(=O)=O)cc1 | 13 | 13 | [0.44185558 0.46640627 0.56005198 0.59296879] | [0.07401082 0.60468754 0.92458289 0.66718754] | 13C NMR | 125 MHz | CDCl3 | 63.8, 125.7, 128.9, 129.0, 132.6, 132.9, 133.4, 135.3, 155.6, 163.1 | null | [(63.8, None, None), (125.7, None, None), (128.9, None, None), (129.0, None, None), (132.6, None, None), (132.9, None, None), (133.4, None, None), (135.3, None, None), (155.6, None, None), (163.1, None, None)] | 21 | 11 | 10 |
10.1039_c8cc00594j | FC(F)(F)c1ccc(C2=NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 14 | 14 | [0.43633239 0.10664063 0.56447055 0.23359376] | [0.07511545 0.24609377 0.92347821 0.30976563] | 1H NMR | 300 MHz | CDCl3 | 6.51 (s, 1H), 7.39-7.44 (m, 10H), 7.79 (d, J = 6.0 Hz, 2H), 8.85 (d, J = 6.0 Hz, 2H) | null | [('s', [], '1H', 6.51, 6.51), ('m', [], '10H', 7.44, 7.39), ('d', ['6.0Hz'], '2H', 7.79, 7.79), ('d', ['6.0Hz'], '2H', 8.85, 8.85)] | 15 | 6 | 15 |
10.1039_c8cc00594j | FC(F)(F)c1ccc(C2=NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 14 | 14 | [0.43633239 0.10664063 0.56447055 0.23359376] | [0.07511545 0.24609377 0.92347821 0.30976563] | 13C NMR | 125 MHz | CDCl3 | 64.0, 122.1, 124.2, 126.1, 126.2, 127.4, 128.8, 128.9, 129.8, 132.4, 135.1, 136.6 (q, JC-F = 32.5 Hz), 136.8 (q, JC-F = 32.5 Hz), 137.1 (q, JC-F = 33.8 Hz) | null | [(64.0, None, None), (122.1, None, None), (124.2, None, None), (126.1, None, None), (126.2, None, None), (127.4, None, None), (128.8, None, None), (128.9, None, None), (129.8, None, None), (132.4, None, None), (135.1, None, None), (136.6, 'q', 32.5), (136.8, 'q', 32.5), (137.1, 'q', 33.8)] | 22 | 12 | 14 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc4ccccc4c3)=NS2(=O)=O)cc1 | 14 | 14 | [0.42749531 0.51953129 0.5749646 0.64453125] | [0.07456314 0.65625 0.92623981 0.71875007] | 1H NMR | 300 MHz | CDCl3 | 6.52 (s, 1H), 7.34-7.49 (m, 10H), 7.53-7.58 (m, 1H), 7.63-7.68 (m, 1H), 7.84-7.93 (m, 3H), 8.28 (d, J = 8.7 Hz, 1H), 9.37 (s, 1H) | null | [('s', [], '1H', 6.52, 6.52), ('m', [], '10H', 7.49, 7.34), ('m', [], '1H', 7.58, 7.53), ('m', [], '1H', 7.68, 7.63), ('m', [], '3H', 7.93, 7.84), ('d', ['8.7Hz'], '1H', 8.28, 8.28), ('s', [], '1H', 9.37, 9.37)] | 18 | 11 | 18 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccc4ccccc4c3)=NS2(=O)=O)cc1 | 14 | 14 | [0.42749531 0.51953129 0.5749646 0.64453125] | [0.07456314 0.65625 0.92623981 0.71875007] | 13C NMR | 125 MHz | CDCl3 | 63.7, 124.3, 125.1, 127.6, 128.1, 128.9, 129.1, 129.5, 130.7, 132.5, 135.5, 136.8, 137.2, 156.1, 163.3 | null | [(63.7, None, None), (124.3, None, None), (125.1, None, None), (127.6, None, None), (128.1, None, None), (128.9, None, None), (129.1, None, None), (129.5, None, None), (130.7, None, None), (132.5, None, None), (135.5, None, None), (136.8, None, None), (137.2, None, None), (156.1, None, None), (163.3, None, None)] | 25 | 17 | 15 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)C(c3ccsc3)=NS2(=O)=O)cc1 | 15 | 15 | [0.44572186 0.10664063 0.55508113 0.20996096] | [0.07511545 0.22148439 0.92568747 0.28437501] | 1H NMR | 300 MHz | CDCl3 | 6.48 (s, 1H), 7.22-7.30 (m, 1H), 7.35-7.47 (m, 10H), 7.85-7.87 (m, 1H), 9.13-9.14 (m, 1H) | null | [('s', [], '1H', 6.48, 6.48), ('m', [], '1H', 7.3, 7.22), ('m', [], '10H', 7.47, 7.35), ('m', [], '1H', 7.87, 7.85), ('m', [], '1H', 9.14, 9.13)] | 14 | 7 | 14 |
10.1039_c8cc00594j | c1([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C)C2=O)ccccc1 | 15 | 15 | [0.42749531 0.73671876 0.57275534 0.81875001] | [0.07511545 0.82968756 0.92679215 0.87031254] | 1H NMR | 300 MHz | CDCl3 | 3.11 (s, 3H), 5.27 (s, 1H), 7.04-7.10 (m, 1H), 7.19-7.30 (m, 3H), 7.36-7.42 (m, 4H), 7.73-7.76 (m, 2H), 8.29 (s, 1H) | null | [('s', [], '3H', 3.11, 3.11), ('s', [], '1H', 5.27, 5.27), ('m', [], '1H', 7.1, 7.04), ('m', [], '3H', 7.3, 7.19), ('m', [], '4H', 7.42, 7.36), ('m', [], '2H', 7.76, 7.73), ('s', [], '1H', 8.29, 8.29)] | 15 | 11 | 15 |
10.1039_c8cc00594j | c1([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C)C2=O)ccccc1 | 15 | 15 | [0.42749531 0.73671876 0.57275534 0.81875001] | [0.07511545 0.82968756 0.92679215 0.87031254] | 13C NMR | 125 MHz | CDCl3 | 26.3, 72.1, 112.0, 114.2, 119.4, 121.1, 123.4, 124.1, 125.4, 127.3, 128.8, 129.1, 136.8, 136.9, 168.6 | null | [(26.3, None, None), (72.1, None, None), (112.0, None, None), (114.2, None, None), (119.4, None, None), (121.1, None, None), (123.4, None, None), (124.1, None, None), (125.4, None, None), (127.3, None, None), (128.8, None, None), (129.1, None, None), (136.8, None, None), (136.9, None, None), (168.6, None, None)] | 17 | 15 | 15 |
10.1039_c8cc00594j | c1ccc(CN2S(=O)(=O)N[C@](c3ccccc3)(c3c4c(cccc4)[nH]c3)C2=O)cc1 | 16 | 16 | [0.42970459 0.25644533 0.57165071 0.33847658] | [0.07622009 0.35039065 0.92568747 0.38945315] | 1H NMR | 300 MHz | CDCl3 | 4.75 (d, J = 15.3 Hz, 1H), 4.85 (d, J = 15.3 Hz, 1H), 5.27 (s, 1H), 6.96-6.99 (m, 1H), 7.09-7.26 (m, 4H), 7.34-7.40 (m, 6H), 7.45-7.48 (m, 2H), 7.73-7.76 (m, 2H), 8.23 (s, 1H) | null | [('d', ['15.3Hz'], '1H', 4.75, 4.75), ('d', ['15.3Hz'], '1H', 4.85, 4.85), ('s', [], '1H', 5.27, 5.27), ('m', [], '1H', 6.99, 6.96), ('m', [], '4H', 7.26, 7.09), ('m', [], '6H', 7.4, 7.34), ('m', [], '2H', 7.48, 7.45), ('m', [], '2H', 7.76, 7.73), ('s', [], '1H', 8.23, 8.23)] | 19 | 14 | 19 |
10.1039_c8cc00594j | c1ccc(CN2S(=O)(=O)N[C@](c3ccccc3)(c3c4c(cccc4)[nH]c3)C2=O)cc1 | 16 | 16 | [0.42970459 0.25644533 0.57165071 0.33847658] | [0.07622009 0.35039065 0.92568747 0.38945315] | 13C NMR | 125 MHz | CDCl3 | 45.5, 71.3, 111.9, 114.9, 119.3, 121.1, 123.4, 124.1, 125.5, 127.3, 128.6, 128.9, 129.0, 129.1, 134.2, 136.7, 136.9, 168.7 | null | [(45.5, None, None), (71.3, None, None), (111.9, None, None), (114.9, None, None), (119.3, None, None), (121.1, None, None), (123.4, None, None), (124.1, None, None), (125.5, None, None), (127.3, None, None), (128.6, None, None), (128.9, None, None), (129.0, None, None), (129.1, None, None), (134.2, None, None), (136.7... | 23 | 19 | 18 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 16 | 16 | [0.41368732 0.64765629 0.58601099 0.73671876] | [0.07566777 0.7519532 0.92568747 0.7910157 ] | 1H NMR | 300 MHz | CDCl3 | 5.36 (s, 1H), 6.39 (s, 1H), 6.86-6.95 (m, 2H), 7.10-7.15 (m, 2H), 7.22-7.44 (m, 14H), 7.68-7.70 (m, 2H), 8.21 (s, 1H) | null | [('s', [], '1H', 5.36, 5.36), ('s', [], '1H', 6.39, 6.39), ('m', [], '2H', 6.95, 6.86), ('m', [], '2H', 7.15, 7.1), ('m', [], '14H', 7.44, 7.22), ('m', [], '2H', 7.7, 7.68), ('s', [], '1H', 8.21, 8.21)] | 23 | 14 | 23 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 16 | 16 | [0.41368732 0.64765629 0.58601099 0.73671876] | [0.07566777 0.7519532 0.92568747 0.7910157 ] | 13C NMR | 125 MHz | CDCl3 | 62.7, 111.9, 114.1, 119.1, 120.9, 123.2, 124.0, 125.6, 127.3, 128.3, 128.5, 128.6, 128.7, 129.0, 129.5, 135.9, 136.1, 136.5, 136.8, 168.3 | null | [(62.7, None, None), (111.9, None, None), (114.1, None, None), (119.1, None, None), (120.9, None, None), (123.2, None, None), (124.0, None, None), (125.6, None, None), (127.3, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (128.7, None, None), (129.0, None, None), (129.5, None, None), (135.... | 29 | 19 | 20 |
10.1039_c8cc00594j | Cc1ccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 17 | 17 | [0.41423964 0.17919924 0.58601099 0.30039065] | [0.07566777 0.3121094 0.92679215 0.35195314] | 1H NMR | 300 MHz | CDCl3 | 2.36 (s, 3H), 5.34 (s, 1H), 6.39 (s, 1H), 6.91-6.96 (m, 2H), 7.12-7.18 (m, 3H), 7.24-7.33 (m, 10H), 7.41-7.44 (m, 2H), 7.56 (d, J = 9.0 Hz, 2H), 8.21 (s, 1H) | null | [('s', [], '3H', 2.36, 2.36), ('s', [], '1H', 5.34, 5.34), ('s', [], '1H', 6.39, 6.39), ('m', [], '2H', 6.96, 6.91), ('m', [], '3H', 7.18, 7.12), ('m', [], '10H', 7.33, 7.24), ('m', [], '2H', 7.44, 7.41), ('d', ['9.0Hz'], '2H', 7.56, 7.56), ('s', [], '1H', 8.21, 8.21)] | 25 | 14 | 25 |
10.1039_c8cc00594j | Cc1ccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 17 | 17 | [0.41423964 0.17919924 0.58601099 0.30039065] | [0.07566777 0.3121094 0.92679215 0.35195314] | 13C NMR | 125 MHz | CDCl3 | 21.3, 62.7, 70.5, 111.9, 114.2, 114.3, 119.3, 120.9, 123.2, 124.0, 124.1, 125.6, 127.2, 128.3, 128.5, 128.6, 128.7, 129.5, 133.7, 136.0, 136.2, 136.8, 138.9, 168.4 | null | [(21.3, None, None), (62.7, None, None), (70.5, None, None), (111.9, None, None), (114.2, None, None), (114.3, None, None), (119.3, None, None), (120.9, None, None), (123.2, None, None), (124.0, None, None), (124.1, None, None), (125.6, None, None), (127.2, None, None), (128.3, None, None), (128.5, None, None), (128.6,... | 30 | 20 | 24 |
10.1039_c8cc00594j | Cc1cccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)c1 | 17 | 17 | [0.41092572 0.60625003 0.59042955 0.70625004] | [0.07622009 0.71953128 0.92789673 0.75859378] | 1H NMR | 300 MHz | CDCl3 | 2.31 (s, 3H), 5.33 (s, 1H), 6.39 (s, 1H), 6.93-6.98 (m, 2H), 7.15-7.19 (m, 3H), 7.23-7.33 (m, 10H), 7.42-7.50 (m, 4H), 8.20 (s, 1H) | null | [('s', [], '3H', 2.31, 2.31), ('s', [], '1H', 5.33, 5.33), ('s', [], '1H', 6.39, 6.39), ('m', [], '2H', 6.98, 6.93), ('m', [], '3H', 7.19, 7.15), ('m', [], '10H', 7.33, 7.23), ('m', [], '4H', 7.5, 7.42), ('s', [], '1H', 8.2, 8.2)] | 25 | 16 | 25 |
10.1039_c8cc00594j | Cc1cccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)c1 | 17 | 17 | [0.41092572 0.60625003 0.59042955 0.70625004] | [0.07622009 0.71953128 0.92789673 0.75859378] | 13C NMR | 125 MHz | CDCl3 | 21.7, 62.8, 70.6, 111.9, 114.2, 119.4, 120.9, 123.2, 124.1, 124.5, 125.6, 127.8, 128.3, 128.5, 128.6, 128.8, 129.5, 129.8, 136.2, 136.6, 136.8, 138.5, 168.3 | null | [(21.7, None, None), (62.8, None, None), (70.6, None, None), (111.9, None, None), (114.2, None, None), (119.4, None, None), (120.9, None, None), (123.2, None, None), (124.1, None, None), (124.5, None, None), (125.6, None, None), (127.8, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (128.8,... | 30 | 22 | 23 |
10.1039_c8cc00594j | COc1ccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 18 | 18 | [0.41423964 0.20390626 0.58601099 0.32500003] | [0.07566777 0.33652346 0.92679215 0.3759766 ] | 1H NMR | 300 MHz | CDCl3 | 3.82 (s, 3H), 5.32 (s, 1H), 6.40 (s, 1H), 6.89 (d, J = 9.0 Hz, 2H), 6.96-7.02 (m, 2H), 7.13-7.21 (m, 2H), 7.26-7.35 (m, 9H), 7.41-7.45 (m, 2H), 7.61 (d, J = 9.0 Hz, 2H), 8.20 (s, 1H) | null | [('s', [], '3H', 3.82, 3.82), ('s', [], '1H', 5.32, 5.32), ('s', [], '1H', 6.4, 6.4), ('d', ['9.0Hz'], '2H', 6.89, 6.89), ('m', [], '2H', 7.02, 6.96), ('m', [], '2H', 7.21, 7.13), ('m', [], '9H', 7.35, 7.26), ('m', [], '2H', 7.45, 7.41), ('d', ['9.0Hz'], '2H', 7.61, 7.61), ('s', [], '1H', 8.2, 8.2)] | 25 | 14 | 25 |
10.1039_c8cc00594j | COc1ccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 18 | 18 | [0.41423964 0.20390626 0.58601099 0.32500003] | [0.07566777 0.33652346 0.92679215 0.3759766 ] | 13C NMR | 125 MHz | CDCl3 | 55.5, 62.7, 70.3, 111.8, 114.0, 114.6, 119.4, 121.0, 123.3, 124.1, 125.5, 128.3, 128.6, 128.7, 129.5, 136.0, 136.2, 136.9, 160.1, 168.4 | null | [(55.5, None, None), (62.7, None, None), (70.3, None, None), (111.8, None, None), (114.0, None, None), (114.6, None, None), (119.4, None, None), (121.0, None, None), (123.3, None, None), (124.1, None, None), (125.5, None, None), (128.3, None, None), (128.6, None, None), (128.7, None, None), (129.5, None, None), (136.0,... | 30 | 20 | 20 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@](c3ccc(F)cc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 19 | 19 | [0.41423964 0.10664063 0.58601099 0.22734376] | [0.07622009 0.23945313 0.92679215 0.27851563] | 1H NMR | 300 MHz | CDCl3 | 5.36 (s, 1H), 6.39 (s, 1H), 6.95-7.11 (m, 5H), 7.18-7.36 (m, 10H), 7.41-7.44 (m, 2H), 7.70-7.74 (m, 2H), 8.21 (s, 1H) | null | [('s', [], '1H', 5.36, 5.36), ('s', [], '1H', 6.39, 6.39), ('m', [], '5H', 7.11, 6.95), ('m', [], '10H', 7.36, 7.18), ('m', [], '2H', 7.44, 7.41), ('m', [], '2H', 7.74, 7.7), ('s', [], '1H', 8.21, 8.21)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@](c3ccc(F)cc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 19 | 19 | [0.41423964 0.10664063 0.58601099 0.22734376] | [0.07622009 0.23945313 0.92679215 0.27851563] | 13C NMR | 125 MHz | CDCl3 | 62.9, 70.0, 112.0, 114.3, 115.6 (d, JC-F = 21.3 Hz), 119.0, 121.1, 123.5, 123.8, 125.3, 128.3, 128.5, 128.6, 128.7, 129.3, 129.4, 129.6, 132.3, 135.9 (d, JC-F = 10.0 Hz), 136.8, 163.1 (d, JC-F = 246.3 Hz), 168.0 | null | [(62.9, None, None), (70.0, None, None), (112.0, None, None), (114.3, None, None), (115.6, 'd', 21.3), (119.0, None, None), (121.1, None, None), (123.5, None, None), (123.8, None, None), (125.3, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (128.7, None, None), (129.3, None, None), (129.4,... | 29 | 19 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3cccc(F)c3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 19 | 19 | [0.41423964 0.53359376 0.58656333 0.63359378] | [0.07511545 0.64609381 0.92679215 0.68515631] | 1H NMR | 300 MHz | CDCl3 | 5.40 (s, 1H), 6.40 (s, 1H), 6.95-7.48 (m, 16H), 7.57 (d, J = 7.8 Hz, 1H), 8.23 (s, 1H) | null | [('s', [], '1H', 5.4, 5.4), ('s', [], '1H', 6.4, 6.4), ('m', [], '16H', 7.48, 6.95), ('d', ['7.8Hz'], '1H', 7.57, 7.57), ('s', [], '1H', 8.23, 8.23)] | 22 | 15 | 20 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3cccc(F)c3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 19 | 19 | [0.41423964 0.53359376 0.58656333 0.63359378] | [0.07511545 0.64609381 0.92679215 0.68515631] | 13C NMR | 125 MHz | CDCl3 | 62.9, 70.0, 112.0, 114.0, 114.9 (d, JC-F = 26.3Hz), 70.0, 112.0, 114.3, 115.6 (d, JC-F = 21.3 Hz), 116.1 (d, JC-F = 20.0 Hz), 119.0, 121.2, 123.0, 123.5, 123.8, 125.3, 128.4, 128.7, 128.8, 129.7, 130.2 (d, JC-F = 8.8 Hz), 135.9, 136.8, 139.1 (d, JC-F = 7.5 Hz), 162.9 (d, JC-F = 245.0 Hz), 167.7 | null | [(62.9, None, None), (70.0, None, None), (112.0, None, None), (114.0, None, None), (114.9, 'd', 26.3), (70.0, None, None), (112.0, None, None), (114.3, None, None), (115.6, 'd', 21.3), (116.1, 'd', 20.0), (119.0, None, None), (121.2, None, None), (123.0, None, None), (123.5, None, None), (123.8, None, None), (125.3, No... | 29 | 21 | 26 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccc(Cl)cc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 20 | 20 | [0.41423964 0.13027344 0.58601099 0.25175782] | [0.07511545 0.26328127 0.92679215 0.30312501] | 1H NMR | 300 MHz | CDCl3 | 5.36 (s, 1H), 6.39 (s, 1H), 6.92-6.99 (m, 2H), 7.07-7.10 (m, 1H), 7.15-7.44 (m, 14H), 7.67-7.70 (m, 2H), 8.21 (s, 1H) | null | [('s', [], '1H', 5.36, 5.36), ('s', [], '1H', 6.39, 6.39), ('m', [], '2H', 6.99, 6.92), ('m', [], '1H', 7.1, 7.07), ('m', [], '14H', 7.44, 7.15), ('m', [], '2H', 7.7, 7.67), ('s', [], '1H', 8.21, 8.21)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccc(Cl)cc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 20 | 20 | [0.41423964 0.13027344 0.58601099 0.25175782] | [0.07511545 0.26328127 0.92679215 0.30312501] | 13C NMR | 125 MHz | CDCl3 | 62.9, 70.0, 112.0, 114.1, 118.9, 121.2, 123.5, 123.7, 125.3, 128.4, 128.5, 128.7, 128.8, 128.9, 129.6, 135.1, 135.9, 136.8, 167.9 | null | [(62.9, None, None), (70.0, None, None), (112.0, None, None), (114.1, None, None), (118.9, None, None), (121.2, None, None), (123.5, None, None), (123.7, None, None), (125.3, None, None), (128.4, None, None), (128.5, None, None), (128.7, None, None), (128.8, None, None), (128.9, None, None), (129.6, None, None), (135.1... | 29 | 19 | 19 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3cccc(Cl)c3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 20 | 20 | [0.41368732 0.53359376 0.58877259 0.63515626] | [0.07511545 0.64687501 0.92679215 0.68593751] | 1H NMR | 300 MHz | CDCl3 | 5.40 (s, 1H), 6.40 (s, 1H), 6.94-7.00 (m, 2H), 7.10-7.45 (m, 15H), 7.66-7.73 (m, 2H), 8.24 (s, 1H) | null | [('s', [], '1H', 5.4, 5.4), ('s', [], '1H', 6.4, 6.4), ('m', [], '2H', 7.0, 6.94), ('m', [], '15H', 7.45, 7.1), ('m', [], '2H', 7.73, 7.66), ('s', [], '1H', 8.24, 8.24)] | 22 | 15 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@](c3ccc(Br)cc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 21 | 21 | [0.41423964 0.10664063 0.58601099 0.22734376] | [0.07622009 0.23945313 0.92679215 0.27851563] | 1H NMR | 300 MHz | CDCl3 | 5.36 (s, 1H), 6.39 (s, 1H), 6.96-7.00 (m, 2H), 7.10 (d, J = 8.7 Hz, 1H), 7.17-7.36 (m, 10H), 7.41-7.44 (m, 2H), 7.51 (d, J = 8.7 Hz, 2H), 7.64 (d, J = 8.7 Hz, 2H), 8.22 (s, 1H) | null | [('s', [], '1H', 5.36, 5.36), ('s', [], '1H', 6.39, 6.39), ('m', [], '2H', 7.0, 6.96), ('d', ['8.7Hz'], '1H', 7.1, 7.1), ('m', [], '10H', 7.36, 7.17), ('m', [], '2H', 7.44, 7.41), ('d', ['8.7Hz'], '2H', 7.51, 7.51), ('d', ['8.7Hz'], '2H', 7.64, 7.64), ('s', [], '1H', 8.22, 8.22)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@](c3ccc(Br)cc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 21 | 21 | [0.41423964 0.10664063 0.58601099 0.22734376] | [0.07622009 0.23945313 0.92679215 0.27851563] | 13C NMR | 125 MHz | CDCl3 | 62.9, 70.0, 112.0, 114.1, 118.9, 121.2, 123.4, 123.5, 123.8, 125.3, 128.4, 128.6, 128.7, 129.1, 129.7, 131.9, 135.7, 135.9, 136.8, 167.8 | null | [(62.9, None, None), (70.0, None, None), (112.0, None, None), (114.1, None, None), (118.9, None, None), (121.2, None, None), (123.4, None, None), (123.5, None, None), (123.8, None, None), (125.3, None, None), (128.4, None, None), (128.6, None, None), (128.7, None, None), (129.1, None, None), (129.7, None, None), (131.9... | 29 | 19 | 20 |
10.1039_c8cc00594j | FC(F)(F)c1ccc([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 | 21 | 21 | [0.41423964 0.55703126 0.58601099 0.68046878] | [0.07677241 0.69296881 0.92734449 0.73203131] | 1H NMR | 300 MHz | CDCl3 | 5.42 (s, 1H), 6.40 (s, 1H), 6.97-7.01 (m, 2H), 7.10 (d, J = 8.1 Hz, 1H), 7.20-7.43 (m, 12H), 7.64 (d, J = 8.1 Hz, 2H), 7.92 (d, J = 9.1 Hz, 2H), 8.24 (s, 1H) | null | [('s', [], '1H', 5.42, 5.42), ('s', [], '1H', 6.4, 6.4), ('m', [], '2H', 7.01, 6.97), ('d', ['8.1Hz'], '1H', 7.1, 7.1), ('m', [], '12H', 7.43, 7.2), ('d', ['8.1Hz'], '2H', 7.64, 7.64), ('d', ['9.1Hz'], '2H', 7.92, 7.92), ('s', [], '1H', 8.24, 8.24)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccc4ccccc4c3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 22 | 22 | [0.41368732 0.20371094 0.58601099 0.32089846] | [0.07732473 0.33359377 0.92679215 0.37265627] | 1H NMR | 300 MHz | CDCl3 | 5.44 (s, 1H), 6.41 (s, 1H), 6.90-6.95 (m, 2H), 7.13-7.32 (m, 11H), 7.42-7.46 (m, 2H), 7.50-7.54 (m, 2H), 7.70-7.74 (m, 1H), 7.79-7.86 (m, 3H), 8.21-8.26 (m, 2H) | null | [('s', [], '1H', 5.44, 5.44), ('s', [], '1H', 6.41, 6.41), ('m', [], '2H', 6.95, 6.9), ('m', [], '11H', 7.32, 7.13), ('m', [], '2H', 7.46, 7.42), ('m', [], '2H', 7.54, 7.5), ('m', [], '1H', 7.74, 7.7), ('m', [], '3H', 7.86, 7.79), ('m', [], '2H', 8.26, 8.21)] | 25 | 18 | 25 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccc4ccccc4c3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 22 | 22 | [0.41368732 0.20371094 0.58601099 0.32089846] | [0.07732473 0.33359377 0.92679215 0.37265627] | 13C NMR | 125 MHz | CDCl3 | 62.8, 70.6, 111.9, 114.2, 119.1, 121.0, 123.3, 124.0, 124.8, 125.8, 126.6, 126.7, 127.0, 127.7, 128.3, 128.5, 128.6, 128.9, 129.6, 133.0, 133.4, 133.9, 136.0, 136.1, 136.8, 168.1 | null | [(62.8, None, None), (70.6, None, None), (111.9, None, None), (114.2, None, None), (119.1, None, None), (121.0, None, None), (123.3, None, None), (124.0, None, None), (124.8, None, None), (125.8, None, None), (126.6, None, None), (126.7, None, None), (127.0, None, None), (127.7, None, None), (128.3, None, None), (128.5... | 33 | 25 | 26 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccsc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 22 | 22 | [0.41423964 0.62695312 0.58601099 0.7292969 ] | [0.07622009 0.74140629 0.92789673 0.78046879] | 1H NMR | 300 MHz | CDCl3 | 5.37 (s, 1H), 6.40 (s, 1H), 6.95-7.00 (m, 2H), 7.14-7.19 (m, 3H), 7.24-7.35 (m, 10H), 7.42-7.46 (m, 2H), 7.61-7.63 (m, 1H), 8.20 (s, 1H) | null | [('s', [], '1H', 5.37, 5.37), ('s', [], '1H', 6.4, 6.4), ('m', [], '2H', 7.0, 6.95), ('m', [], '3H', 7.19, 7.14), ('m', [], '10H', 7.35, 7.24), ('m', [], '2H', 7.46, 7.42), ('m', [], '1H', 7.63, 7.61), ('s', [], '1H', 8.2, 8.2)] | 21 | 14 | 21 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccsc3)(c3c[nH]c4ccccc34)NS2(=O)=O)cc1 | 22 | 22 | [0.41423964 0.62695312 0.58601099 0.7292969 ] | [0.07622009 0.74140629 0.92789673 0.78046879] | 13C NMR | 125 MHz | CDCl3 | 62.7, 68.5, 111.9, 113.5, 118.9, 121.0, 123.3, 123.9, 124.9, 125.5, 126.8, 127.0, 128.3, 128.5, 128.6, 129.5, 135.8, 136.2, 136.8, 137.8, 167.8 | null | [(62.7, None, None), (68.5, None, None), (111.9, None, None), (113.5, None, None), (118.9, None, None), (121.0, None, None), (123.3, None, None), (123.9, None, None), (124.9, None, None), (125.5, None, None), (126.8, None, None), (127.0, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (129.5... | 27 | 19 | 21 |
10.1039_c8cc00594j | Cc1ccc2[nH]cc([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c2c1 | 23 | 23 | [0.41203035 0.20390626 0.58987721 0.29140626] | [0.07511545 0.30371096 0.92568747 0.34316408] | 1H NMR | 300 MHz | CDCl3 | 2.25 (s, 3H), 5.37 (s, 1H), 6.38 (s, 1H), 6.76 (s, 1H), 6.95-6.98 (m, 2H), 7.13-7.46 (m, 14H), 7.71-7.74 (m, 2H), 8.11(s, 1H) | null | [('s', [], '3H', 2.25, 2.25), ('s', [], '1H', 5.37, 5.37), ('s', [], '1H', 6.38, 6.38), ('s', [], '1H', 6.76, 6.76), ('m', [], '2H', 6.98, 6.95), ('m', [], '14H', 7.46, 7.13), ('m', [], '2H', 7.74, 7.71), ('s', [], '1H', 8.11, 8.11)] | 25 | 14 | 25 |
10.1039_c8cc00594j | Cc1ccc2[nH]cc([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c2c1 | 23 | 23 | [0.41203035 0.20390626 0.58987721 0.29140626] | [0.07511545 0.30371096 0.92568747 0.34316408] | 13C NMR | 125 MHz | CDCl3 | 21.6, 63.6, 70.6, 111.7, 113.7, 118.4, 124.1, 124.9, 125.9, 127.3, 128.2, 128.5, 128.6, 128.7, 129.0, 129.6, 130.5, 135.1, 136.1, 136.3, 136.4, 168.4 | null | [(21.6, None, None), (63.6, None, None), (70.6, None, None), (111.7, None, None), (113.7, None, None), (118.4, None, None), (124.1, None, None), (124.9, None, None), (125.9, None, None), (127.3, None, None), (128.2, None, None), (128.5, None, None), (128.6, None, None), (128.7, None, None), (129.0, None, None), (129.6,... | 30 | 20 | 22 |
10.1039_c8cc00594j | Cc1ccc2c([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c[nH]c2c1 | 23 | 23 | [0.39546077 0.57734379 0.60589451 0.66484378] | [0.07566777 0.67734381 0.92568747 0.71640631] | 1H NMR | 300 MHz | CDCl3 | 2.36 (s, 3H), 5.34 (s, 1H), 6.38 (s, 1H), 6.74-6.78 (m, 2H), 6.99-7.02 (m, 2H), 7.22-7.44 (m, 13H), 7.67-7.71 (m, 2H), 8.08 (s, 1H) | null | [('s', [], '3H', 2.36, 2.36), ('s', [], '1H', 5.34, 5.34), ('s', [], '1H', 6.38, 6.38), ('m', [], '2H', 6.78, 6.74), ('m', [], '2H', 7.02, 6.99), ('m', [], '13H', 7.44, 7.22), ('m', [], '2H', 7.71, 7.67), ('s', [], '1H', 8.08, 8.08)] | 25 | 14 | 25 |
10.1039_c8cc00594j | Cc1ccc2c([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c[nH]c2c1 | 23 | 23 | [0.39546077 0.57734379 0.60589451 0.66484378] | [0.07566777 0.67734381 0.92568747 0.71640631] | 13C NMR | 125 MHz | CDCl3 | 21.7, 62.8, 70.6, 111.8, 114.0, 118.7, 121.8, 122.6, 125.0, 127.3, 128.3, 128.5, 128.6, 129.0, 129.5, 133.2, 136.0, 136.2, 136.6, 137.3, 168.3 | null | [(21.7, None, None), (62.8, None, None), (70.6, None, None), (111.8, None, None), (114.0, None, None), (118.7, None, None), (121.8, None, None), (122.6, None, None), (125.0, None, None), (127.3, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (129.0, None, None), (129.5, None, None), (133.2,... | 30 | 20 | 21 |
10.1039_c8cc00594j | Cc1cccc2c([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c[nH]c12 | 24 | 24 | [0.40319325 0.10673828 0.59705738 0.19482424] | [0.07622009 0.20664063 0.92679215 0.24570315] | 1H NMR | 300 MHz | CDCl3 | 2.25 (s, 3H), 5.38 (s, 1H), 6.39 (s, 1H), 6.78-6.97 (m, 4H), 7.22-7.45 (m, 13H), 7.68-7.71 (m, 2H), 8.17 (s, 1H) | null | [('s', [], '3H', 2.25, 2.25), ('s', [], '1H', 5.38, 5.38), ('s', [], '1H', 6.39, 6.39), ('m', [], '4H', 6.97, 6.78), ('m', [], '13H', 7.45, 7.22), ('m', [], '2H', 7.71, 7.68), ('s', [], '1H', 8.17, 8.17)] | 25 | 14 | 25 |
10.1039_c8cc00594j | Cc1cccc2c([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c[nH]c12 | 24 | 24 | [0.40319325 0.10673828 0.59705738 0.19482424] | [0.07622009 0.20664063 0.92679215 0.24570315] | 13C NMR | 125 MHz | CDCl3 | 16.5, 62.7, 70.6, 114.5, 116.5, 121.2, 121.3, 123.4, 125.6, 127.2, 128.3, 128.5, 128.6, 128.7, 129.0, 129.6, 135.9, 136.1, 136.4, 168.5 | null | [(16.5, None, None), (62.7, None, None), (70.6, None, None), (114.5, None, None), (116.5, None, None), (121.2, None, None), (121.3, None, None), (123.4, None, None), (125.6, None, None), (127.2, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (128.7, None, None), (129.0, None, None), (129.6,... | 30 | 20 | 20 |
10.1039_c8cc00594j | COc1ccc2[nH]cc([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c2c1 | 24 | 24 | [0.40485019 0.50000004 0.59595275 0.58828126] | [0.07511545 0.60039065 0.92568747 0.63945315] | 1H NMR | 300 MHz | CDCl3 | 3.49 (s, 3H), 5.41 (s, 1H), 6.36 (s, 1H), 6.63 (s, 1H), 6.77-6.84 (m, 2H), 7.12-7.45 (m, 14H), 7.70-7.73 (m, 2H), 8.15 (s, 1H) | null | [('s', [], '3H', 3.49, 3.49), ('s', [], '1H', 5.41, 5.41), ('s', [], '1H', 6.36, 6.36), ('s', [], '1H', 6.63, 6.63), ('m', [], '2H', 6.84, 6.77), ('m', [], '14H', 7.45, 7.12), ('m', [], '2H', 7.73, 7.7), ('s', [], '1H', 8.15, 8.15)] | 25 | 14 | 25 |
10.1039_c8cc00594j | COc1ccc2[nH]cc([C@@]3(c4ccccc4)NS(=O)(=O)N(C(c4ccccc4)c4ccccc4)C3=O)c2c1 | 24 | 24 | [0.40485019 0.50000004 0.59595275 0.58828126] | [0.07511545 0.60039065 0.92568747 0.63945315] | 13C NMR | 125 MHz | CDCl3 | 55.6, 62.6, 70.7, 100.2, 112.8, 113.8, 124.5, 126.2, 127.4, 128.2, 128.5, 128.6, 128.7, 129.0, 129.5, 131.7, 136.0, 126.3, 126.5, 154.8, 168.2 | null | [(55.6, None, None), (62.6, None, None), (70.7, None, None), (100.2, None, None), (112.8, None, None), (113.8, None, None), (124.5, None, None), (126.2, None, None), (127.4, None, None), (128.2, None, None), (128.5, None, None), (128.6, None, None), (128.7, None, None), (129.0, None, None), (129.5, None, None), (131.7,... | 30 | 20 | 21 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccc(F)cc34)NS2(=O)=O)cc1 | 25 | 25 | [0.41423964 0.10644532 0.58656333 0.19492188] | [0.07622009 0.20683595 0.92458289 0.24550783] | 1H NMR | 300 MHz | CDCl3 | 5.30 (s, 1H), 6.40 (s, 1H), 6.79-6.94 (m, 2H), 7.10 (s, 1H), 7.19-7.39 (m, 14H), 7.63-7.66 (m, 2H), 8.27 (s, 1H) | null | [('s', [], '1H', 5.3, 5.3), ('s', [], '1H', 6.4, 6.4), ('m', [], '2H', 6.94, 6.79), ('s', [], '1H', 7.1, 7.1), ('m', [], '14H', 7.39, 7.19), ('m', [], '2H', 7.66, 7.63), ('s', [], '1H', 8.27, 8.27)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccc(F)cc34)NS2(=O)=O)cc1 | 25 | 25 | [0.41423964 0.10644532 0.58656333 0.19492188] | [0.07622009 0.20683595 0.92458289 0.24550783] | 13C NMR | 125 MHz | CDCl3 | 62.9, 70.4, 104.8 (d, JC-F = 25.5 Hz), 111.9 (d, JC-F = 26.3 Hz), 112.6, 114.2 (d, JC-F = 5.0 Hz), 124.5, 124.6, 127.0, 127.3, 128.4, 128.6, 128.7, 128.9, 129.2, 129.3, 133.3, 135.8, 136.1, 136.4, 158.1 (d, JC-F = 236.3 Hz), 168.1 | null | [(62.9, None, None), (70.4, None, None), (104.8, 'd', 25.5), (111.9, 'd', 26.3), (112.6, None, None), (114.2, 'd', 5.0), (124.5, None, None), (124.6, None, None), (127.0, None, None), (127.3, None, None), (128.4, None, None), (128.6, None, None), (128.7, None, None), (128.9, None, None), (129.2, None, None), (129.3, No... | 29 | 19 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccc(Cl)cc34)NS2(=O)=O)cc1 | 25 | 25 | [0.41423964 0.55312501 0.58711562 0.64140628] | [0.07732473 0.65351567 0.92623981 0.69179689] | 1H NMR | 300 MHz | CDCl3 | 5.25 (br, 1H), 6.39 (s, 1H), 6.97 (s, 1H), 7.06-7.50 (m, 16H), 7.60-7.63 (m, 2H), 8.31 (s, 1H) | null | [('br', [], '1H', 5.25, 5.25), ('s', [], '1H', 6.39, 6.39), ('s', [], '1H', 6.97, 6.97), ('m', [], '16H', 7.5, 7.06), ('m', [], '2H', 7.63, 7.6), ('s', [], '1H', 8.31, 8.31)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccc(Cl)cc34)NS2(=O)=O)cc1 | 25 | 25 | [0.41423964 0.55312501 0.58711562 0.64140628] | [0.07732473 0.65351567 0.92623981 0.69179689] | 13C NMR | 125 MHz | CDCl3 | 62.9, 70.3, 112.9, 113.6, 118.9, 123.7, 125.1, 126.7, 126.8, 127.3 ,128.4, 128.6, 128.7, 128.9, 129.2, 129.3, 135.2, 135.8, 136.2, 136.4, 168.2 | null | [(62.9, None, None), (70.3, None, None), (112.9, None, None), (113.6, None, None), (118.9, None, None), (123.7, None, None), (125.1, None, None), (126.7, None, None), (126.8, None, None), (127.3, None, None), (128.4, None, None), (128.6, None, None), (128.7, None, None), (128.9, None, None), (129.2, None, None), (129.3... | 29 | 19 | 21 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccc(Br)cc34)NS2(=O)=O)cc1 | 26 | 26 | [0.41423964 0.10664063 0.58766796 0.19492188] | [0.07898169 0.20664063 0.92568747 0.24570315] | 1H NMR | 300 MHz | CDCl3 | 5.33 (s, 1H), 6.39 (s, 1H), 6.99 (s, 1H), 7.08-7.11 (m, 1H), 7.20-7.39 (m, 15H), 7.60-7.63 (m, 2H), 8.31 (s, 1H) | null | [('s', [], '1H', 5.33, 5.33), ('s', [], '1H', 6.39, 6.39), ('s', [], '1H', 6.99, 6.99), ('m', [], '1H', 7.11, 7.08), ('m', [], '15H', 7.39, 7.2), ('m', [], '2H', 7.63, 7.6), ('s', [], '1H', 8.31, 8.31)] | 22 | 13 | 22 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)[C@@](c3ccccc3)(c3c[nH]c4ccc(Br)cc34)NS2(=O)=O)cc1 | 26 | 26 | [0.41423964 0.10664063 0.58766796 0.19492188] | [0.07898169 0.20664063 0.92568747 0.24570315] | 13C NMR | 125 MHz | CDCl3 | 62.8, 70.2, 113.2, 113.4, 114.2, 121.8, 125.7, 126.2, 126.5, 127.1, 128.3, 128.5, 128.6, 128.9, 129.1, 129.2, 135.4, 135.7, 136.1, 136.3, 169.1 | null | [(62.8, None, None), (70.2, None, None), (113.2, None, None), (113.4, None, None), (114.2, None, None), (121.8, None, None), (125.7, None, None), (126.2, None, None), (126.5, None, None), (127.1, None, None), (128.3, None, None), (128.5, None, None), (128.6, None, None), (128.9, None, None), (129.1, None, None), (129.2... | 29 | 19 | 21 |
10.1039_c8cc00594j | c1(C(NC(=O)[C@](c2ccccc2)(N)c2c[nH]c3ccccc23)c2ccccc2)ccccc1 | 26 | 26 | [0.41423964 0.57734379 0.58656333 0.66484378] | [0.07511545 0.67734381 0.92734449 0.83750006] | 1H NMR | 300 MHz | CD3OD | 6.17 (s, 1H), 6.86-6.89 (m, 1H), 7.03-7.11 (m, 4H), 7.14-7.16 (m, 3H), 7.18-7.31 (m, 9H), 7.35-7.38 (m, 1H), 7.46-7.49 (m, 2H) | null | [('s', [], '1H', 6.17, 6.17), ('m', [], '1H', 6.89, 6.86), ('m', [], '4H', 7.11, 7.03), ('m', [], '3H', 7.16, 7.14), ('m', [], '9H', 7.31, 7.18), ('m', [], '1H', 7.38, 7.35), ('m', [], '2H', 7.49, 7.46)] | 25 | 15 | 21 |
10.1039_c8cc00594j | c1(C(NC(=O)[C@](c2ccccc2)(N)c2c[nH]c3ccccc23)c2ccccc2)ccccc1 | 26 | 26 | [0.41423964 0.57734379 0.58656333 0.66484378] | [0.07511545 0.67734381 0.92734449 0.83750006] | 13C NMR | 125 MHz | CD3OD | 58.6, 65.5, 112.6, 119.4, 120.1, 121.6, 122.7, 125.6, 128.3, 128.4, 128.5, 129.2, 129.5, 129.6, 138.8, 142.9, 145.4, 175.9 | null | [(58.6, None, None), (65.5, None, None), (112.6, None, None), (119.4, None, None), (120.1, None, None), (121.6, None, None), (122.7, None, None), (125.6, None, None), (128.3, None, None), (128.4, None, None), (128.5, None, None), (129.2, None, None), (129.5, None, None), (129.6, None, None), (138.8, None, None), (142.9... | 29 | 19 | 18 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)N[C@@](c3ccccc3)(c3c[nH]c4ccccc34)C2=O)cc1 | 27 | 27 | [0.41423964 0.27695315 0.58656333 0.36484377] | [0.07456314 0.37656252 0.92844907 0.71171878] | 1H NMR | 300 MHz | CDCl3 | 6.32 (s, 1H), 6.58 (s, 1H), 6.86-6.92 (m, 3H), 7.11-7.19 (m, 1H), 7.25-7.35 (m, 14H), 7.46-7.49 (m, 2H), 8.17 (s, 1H) | null | [('s', [], '1H', 6.32, 6.32), ('s', [], '1H', 6.58, 6.58), ('m', [], '3H', 6.92, 6.86), ('m', [], '1H', 7.19, 7.11), ('m', [], '14H', 7.35, 7.25), ('m', [], '2H', 7.49, 7.46), ('s', [], '1H', 8.17, 8.17)] | 23 | 14 | 23 |
10.1039_c8cc00594j | c1ccc(C(c2ccccc2)N2C(=O)N[C@@](c3ccccc3)(c3c[nH]c4ccccc34)C2=O)cc1 | 27 | 27 | [0.41423964 0.27695315 0.58656333 0.36484377] | [0.07456314 0.37656252 0.92844907 0.71171878] | 13C NMR | 125 MHz | CDCl3 | 58.6, 66.3, 111.7, 114.6, 119.6, 120.5, 122.9, 123.8, 124.7, 126.7, 127.8, 128.0, 128.5, 128.6, 128.7, 128.8, 136.9, 137.7, 138.0, 138.3, 156.4, 173.2 | null | [(58.6, None, None), (66.3, None, None), (111.7, None, None), (114.6, None, None), (119.6, None, None), (120.5, None, None), (122.9, None, None), (123.8, None, None), (124.7, None, None), (126.7, None, None), (127.8, None, None), (128.0, None, None), (128.5, None, None), (128.6, None, None), (128.7, None, None), (128.8... | 30 | 20 | 22 |
10.1039_c8cc00594j | c1([C@@]2(c3c[nH]c4ccccc34)NC(=O)NC2=O)ccccc1 | 27 | 27 | [0.43136153 0.77187501 0.56833678 0.85468754] | [0.07566777 0.86640629 0.92679215 0.90546879] | 1H NMR | 300 MHz | CD3OD | 6.91-6.94 (m, 1H), 7.03 (s, 1H), 7.09-7.12 (m, 1H), 7.20-7.22 (m, 1H), 7.36-7.39 (m, 4H), 7.54-7.56 (m, 2H) | null | [('m', [], '1H', 6.94, 6.91), ('s', [], '1H', 7.03, 7.03), ('m', [], '1H', 7.12, 7.09), ('m', [], '1H', 7.22, 7.2), ('m', [], '4H', 7.39, 7.36), ('m', [], '2H', 7.56, 7.54)] | 13 | 11 | 10 |
10.1039_c8cc00594j | c1([C@@]2(c3c[nH]c4ccccc34)NC(=O)NC2=O)ccccc1 | 27 | 27 | [0.43136153 0.77187501 0.56833678 0.85468754] | [0.07566777 0.86640629 0.92679215 0.90546879] | 13C NMR | 125 MHz | CD3OD | 69.4, 112.6, 115.3, 120.3, 120.7, 123.0, 125.6, 127.9, 129.3, 129.4, 138.7, 140.3, 158.9, 177.7 | null | [(69.4, None, None), (112.6, None, None), (115.3, None, None), (120.3, None, None), (120.7, None, None), (123.0, None, None), (125.6, None, None), (127.9, None, None), (129.3, None, None), (129.4, None, None), (138.7, None, None), (140.3, None, None), (158.9, None, None), (177.7, None, None)] | 17 | 15 | 14 |
10.1039_c8cc00594j | c1([C@@]2(c3c[nH]c4ccccc34)NS(=O)(=O)NC2=O)ccccc1 | 28 | 28 | [0.43191387 0.40312503 0.56999374 0.48437504] | [0.07566777 0.49648439 0.92623981 0.63242193] | 1H NMR | 300 MHz | CD3OD | 6.83-6.88 (m, 1H), 7.01-7.09 (m, 2H), 7.22-7.31 (m, 5H), 7.67-7.70 (m, 2H) | null | [('m', [], '1H', 6.88, 6.83), ('m', [], '2H', 7.09, 7.01), ('m', [], '5H', 7.31, 7.22), ('m', [], '2H', 7.7, 7.67)] | 13 | 11 | 10 |
10.1021_acs.orglett.1c01861 | O=c1[nH]c2ccc(I)cc2s1 | 2 | 2 | [0.58740813 0.28847658 0.7107537 0.34160159] | [0.13851103 0.36464845 0.85836403 0.6007813 ] | 1H NMR | 600 MHz | CDCl3 | 9.18 (s, 1H), 7.71 (d, J = 1.2 Hz, 1H), 7.58 (dd, J = 8.4, 1.6 Hz, 1H), 6.90 (d, J = 8.4 Hz, 1H) | null | [('s', [], '1H', 9.18, 9.18), ('d', ['1.2Hz'], '1H', 7.71, 7.71), ('dd', ['8.4Hz', '1.6Hz'], '1H', 7.58, 7.58), ('d', ['8.4Hz'], '1H', 6.9, 6.9)] | 4 | 4 | 4 |
10.1021_acs.orglett.1c01861 | O=c1[nH]c2ccc(I)cc2s1 | 2 | 2 | [0.58740813 0.28847658 0.7107537 0.34160159] | [0.13851103 0.36464845 0.85836403 0.6007813 ] | 13C NMR | 151 MHz | CDCl3 | 171.1, 135.3, 134.4, 130.8, 126.1, 113.0, 85.3 | null | [(171.1, None, None), (135.3, None, None), (134.4, None, None), (130.8, None, None), (126.1, None, None), (113.0, None, None), (85.3, None, None)] | 7 | 7 | 7 |
10.1021_acs.orglett.1c01861 | Clc1nc2ccc(I)cc2s1 | 2 | 2 | [0.58943017 0.6632813 0.71479782 0.70546877] | [0.14002758 0.73046883 0.85836403 0.94296881] | 1H NMR | 600 MHz | CDCl3 | 8.11 (d, J = 1.4 Hz, 1H), 7.77 (dd, J = 8.6, 1.7 Hz, 1H), 7.67 (d, J = 8.6 Hz, 1H) | null | [('d', ['1.4Hz'], '1H', 8.11, 8.11), ('dd', ['8.6Hz', '1.7Hz'], '1H', 7.77, 7.77), ('d', ['8.6Hz'], '1H', 7.67, 7.67)] | 3 | 3 | 3 |
10.1021_acs.orglett.1c01861 | Clc1nc2ccc(I)cc2s1 | 2 | 2 | [0.58943017 0.6632813 0.71479782 0.70546877] | [0.14002758 0.73046883 0.85836403 0.94296881] | 13C NMR | 151 MHz | CDCl3 | 153.8, 150.3, 137.9, 135.9, 129.5, 124.3, 90.1 | null | [(153.8, None, None), (150.3, None, None), (137.9, None, None), (135.9, None, None), (129.5, None, None), (124.3, None, None), (90.1, None, None)] | 7 | 7 | 7 |
10.1021_acs.orglett.1c01861 | Ic1ccc2ncsc2c1 | 3 | 3 | [0.6066177 0.20195314 0.70367651 0.24492189] | [0.1405331 0.26835939 0.859375 0.48164067] | 1H NMR | 600 MHz | CDCl3 | 8.91 (s, 1H), 8.30 (d, J = 1.2 Hz, 1H), 7.87 (d, J = 8.6 Hz, 1H), 7.79 (dd, J = 8.6, 1.5 Hz, 1H) | null | [('s', [], '1H', 8.91, 8.91), ('d', ['1.2Hz'], '1H', 8.3, 8.3), ('d', ['8.6Hz'], '1H', 7.87, 7.87), ('dd', ['8.6Hz', '1.5Hz'], '1H', 7.79, 7.79)] | 4 | 4 | 4 |
10.1021_acs.orglett.1c01861 | Ic1ccc2ncsc2c1 | 3 | 3 | [0.6066177 0.20195314 0.70367651 0.24492189] | [0.1405331 0.26835939 0.859375 0.48164067] | 13C NMR | 151 MHz | CDCl3 | 154.3, 152.7, 135.9, 135.3, 130.4, 125.1, 90.1 | null | [(154.3, None, None), (152.7, None, None), (135.9, None, None), (135.3, None, None), (130.4, None, None), (125.1, None, None), (90.1, None, None)] | 7 | 7 | 7 |
10.1021_acs.orglett.1c01861 | [N+](=O)([O-])c1ccc2ncsc2c1 | 4 | 4 | [0.56112137 0.15742188 0.67941179 0.19882813] | [0.1405331 0.22421875 0.859375 0.43750004] | 1H NMR | 300 MHz | CDCl3 | 9.28 (s, 1H), 8.93 (d, J = 2.4 Hz, 1H), 8.41 (dd, J = 9.0, 2.3 Hz, 1H), 8.26 (d, J = 9.0 Hz, 1H) | null | [('s', [], '1H', 9.28, 9.28), ('d', ['2.4Hz'], '1H', 8.93, 8.93), ('dd', ['9.0Hz', '2.3Hz'], '1H', 8.41, 8.41), ('d', ['9.0Hz'], '1H', 8.26, 8.26)] | 4 | 4 | 4 |
10.1021_acs.orglett.1c01861 | Nc1ccc2ncsc2c1 | 4 | 4 | [0.59549633 0.49804691 0.71277579 0.5386719 ] | [0.13851103 0.56875002 0.859375 0.80625006] | 1H NMR | 600 MHz | DMSO-d6 | 8.87 (s, 1H), 7.71 (d, J = 8.7 Hz, 1H), 7.12 (d, J = 2.2 Hz, 1H), 6.80 (dd, J = 8.7, 2.2 Hz, 1H), 5.40 (s, 2H) | null | [('s', [], '1H', 8.87, 8.87), ('d', ['8.7Hz'], '1H', 7.71, 7.71), ('d', ['2.2Hz'], '1H', 7.12, 7.12), ('dd', ['8.7Hz', '2.2Hz'], '1H', 6.8, 6.8), ('s', [], '2H', 5.4, 5.4)] | 6 | 5 | 6 |
10.1021_acs.orglett.1c01861 | [Si](C)(C)(C)C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 | 5 | 5 | [0.57325371 0.18281251 0.7916361 0.27382814] | [0.14002758 0.29550784 0.85886957 0.50781254] | 1H NMR | 600 MHz | CDCl3 | 7.32-7.29 (m, 2H), 7.26 (t, J = 7.9 Hz, 4H), 7.10-7.07 (m, 4H), 7.06-7.03 (m, 2H), 6.95 (d, J = 8.7 Hz, 2H), 0.23 (s, 9H) | null | [('m', [], '2H', 7.32, 7.29), ('t', ['7.9Hz'], '4H', 7.26, 7.26), ('m', [], '4H', 7.1, 7.07), ('m', [], '2H', 7.06, 7.03), ('d', ['8.7Hz'], '2H', 6.95, 6.95), ('s', [], '9H', 0.23, 0.23)] | 23 | 6 | 23 |
10.1021_acs.orglett.1c01861 | C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 | 5 | 5 | [0.59296876 0.55156253 0.77899823 0.64375005] | [0.1405331 0.66171881 0.85836403 0.87265631] | 1H NMR | 600 MHz | CDCl3 | 7.34-7.32 (m, 2H), 7.29-7.25 (m, 4H), 7.11-7.09 (m, 4H), 7.07-7.04 (m, 2H), 6.97-6.95 (m, 2H), 3.02 (s, 1H) | null | [('m', [], '2H', 7.34, 7.32), ('m', [], '4H', 7.29, 7.25), ('m', [], '4H', 7.11, 7.09), ('m', [], '2H', 7.07, 7.04), ('m', [], '2H', 6.97, 6.95), ('s', [], '1H', 3.02, 3.02)] | 15 | 6 | 15 |
10.1021_acs.orglett.1c01861 | COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1 | 6 | 6 | [0.57325371 0.13339844 0.74310667 0.24140626] | [0.13851103 0.24804689 0.85836403 0.50898442] | 1H NMR | 600 MHz | CDCl3 | 7.16 (dd, J = 8.6, 7.3 Hz, 2H), 7.03 (d, J = 8.8 Hz, 4H), 6.95-6.91 (m, 2H), 6.87-6.83 (m, 1H), 6.81 (d, J = 8.9 Hz, 4H), 3.78 (s, 6H) | null | [('dd', ['8.6Hz', '7.3Hz'], '2H', 7.16, 7.16), ('d', ['8.8Hz'], '4H', 7.03, 7.03), ('m', [], '2H', 6.95, 6.91), ('m', [], '1H', 6.87, 6.83), ('d', ['8.9Hz'], '4H', 6.81, 6.81), ('s', [], '6H', 3.78, 3.78)] | 19 | 6 | 19 |
10.1021_acs.orglett.1c01861 | COc1ccc(N(c2ccc(I)cc2)c2ccc(OC)cc2)cc1 | 6 | 6 | [0.58740813 0.5539063 0.755239 0.67578133] | [0.13977482 0.68203127 0.859375 0.88828131] | 1H NMR | 600 MHz | CDCl3 | 7.40 (d, J = 8.8 Hz, 2H), 7.05-7.01 (m, 4H), 6.84-6.81 (m, 4H), 6.67 (d, J = 8.9 Hz, 2H), 3.79 (s, 6H) | null | [('d', ['8.8Hz'], '2H', 7.4, 7.4), ('m', [], '4H', 7.05, 7.01), ('m', [], '4H', 6.84, 6.81), ('d', ['8.9Hz'], '2H', 6.67, 6.67), ('s', [], '6H', 3.79, 3.79)] | 18 | 5 | 18 |
10.1021_acs.orglett.1c01861 | [Si](C)(C)(C)C#Cc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 | 7 | 7 | [0.5965074 0.10546876 0.77242653 0.26445314] | [0.14002758 0.27265626 0.85886957 0.48554692] | 1H NMR | 600 MHz | CDCl3 | 7.24 (d, J = 8.9 Hz, 2H), 7.04 (d, J = 9.0 Hz, 4H), 6.83 (d, J = 9.0 Hz, 4H), 6.79 (d, J = 8.9 Hz, 2H), 3.79 (s, 6H), 0.22 (s, 9H) | null | [('d', ['8.9Hz'], '2H', 7.24, 7.24), ('d', ['9.0Hz'], '4H', 7.04, 7.04), ('d', ['9.0Hz'], '4H', 6.83, 6.83), ('d', ['8.9Hz'], '2H', 6.79, 6.79), ('s', [], '6H', 3.79, 3.79), ('s', [], '9H', 0.22, 0.22)] | 27 | 6 | 27 |
10.1021_acs.orglett.1c01861 | C#Cc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 | 7 | 7 | [0.57931987 0.5304688 0.75119487 0.68828128] | [0.1405331 0.70195316 0.85836403 0.91406258] | 1H NMR | 600 MHz | CDCl3 | 7.26 (s, 2H), 7.07-7.04 (m, 4H), 6.85-6.82 (m, 4H), 6.80 (d, J = 8.7 Hz, 2H), 3.79 (s, 6H), 2.98 (s, 1H) | null | [('s', [], '2H', 7.26, 7.26), ('m', [], '4H', 7.07, 7.04), ('m', [], '4H', 6.85, 6.82), ('d', ['8.7Hz'], '2H', 6.8, 6.8), ('s', [], '6H', 3.79, 3.79), ('s', [], '1H', 2.98, 2.98)] | 19 | 6 | 19 |
10.1021_acs.orglett.1c01861 | B(O)(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 | 8 | 8 | [0.6147059 0.15585939 0.73198535 0.27070313] | [0.13800552 0.29140627 0.85836403 0.55234377] | 1H NMR | 600 MHz | CDCl3 | 8.01 (d, J = 8.5 Hz, 2H), 7.29 (dd, J = 8.5, 7.3 Hz, 4H), 7.18-7.13 (m, 4H), 7.11-7.06 (m, 4H) | null | [('d', ['8.5Hz'], '2H', 8.01, 8.01), ('dd', ['8.5Hz', '7.3Hz'], '4H', 7.29, 7.29), ('m', [], '4H', 7.18, 7.13), ('m', [], '4H', 7.11, 7.06)] | 16 | 6 | 14 |
10.1021_acs.orglett.1c01861 | O(I(c1ccccc1)c1ccccc1)S(=O)(=O)C(F)(F)F | 10 | 10 | [0.67233461 0.25351565 0.80781256 0.29179689] | [0.13901656 0.30722659 0.85836403 0.54453127] | 1H NMR | 600 MHz | DMSO-d6 | 8.25 (d, J = 7.8 Hz, 4H), 7.67 (t, J = 7.4 Hz, 2H), 7.54 (t, J = 7.8 Hz, 4H) | null | [('d', ['7.8Hz'], '4H', 8.25, 8.25), ('t', ['7.4Hz'], '2H', 7.67, 7.67), ('t', ['7.8Hz'], '4H', 7.54, 7.54)] | 10 | 3 | 10 |
10.1021_acs.orglett.1c01861 | O=S(=O)([O-])C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1 | 10 | 10 | [0.65818019 0.58906255 0.79365814 0.67500005] | [0.1405331 0.68984377 0.859375 0.90234383] | 1H NMR | 600 MHz | DMSO-d6 | 7.75-7.79 (m, 3H), 7.68-7.75 (m, 12H) | null | [('m', [], '3H', 7.79, 7.75), ('m', [], '12H', 7.75, 7.68)] | 15 | 3 | 15 |
10.1021_acs.orglett.1c01861 | c1ccc(Nc2ccc3ncsc3c2)cc1 | 15 | 15 | [0.14280792 0.10615235 0.300023 0.15888673] | [0.14103861 0.10253907 0.85836403 0.19296875] | 1H NMR | 600 MHz | CDCl3 | 8.79 (s, 1H), 7.99 (d, J = 8.8 Hz, 1H), 7.61 (d, J = 2.2 Hz, 1H), 7.29-7.33 (m, 2H), 7.20 (dd, J = 8.8, 2.2 Hz, 1H), 7.12-7.15 (m, 2H), 6.98-7.02 (m, 1H), 5.88 (s, 1H) | null | [('s', [], '1H', 8.79, 8.79), ('d', ['8.8Hz'], '1H', 7.99, 7.99), ('d', ['2.2Hz'], '1H', 7.61, 7.61), ('m', [], '2H', 7.33, 7.29), ('dd', ['8.8Hz', '2.2Hz'], '1H', 7.2, 7.2), ('m', [], '2H', 7.15, 7.12), ('m', [], '1H', 7.02, 6.98), ('s', [], '1H', 5.88, 5.88)] | 10 | 8 | 10 |
10.1021_acs.orglett.1c01861 | c1ccc(Nc2ccc3nc(-c4ccccc4)sc3c2)cc1 | 15 | 15 | [0.14318704 0.27265626 0.36548714 0.32539063] | [0.38469671 0.26953127 0.85684743 0.33476566] | 1H NMR | 600 MHz | CDCl3 | 8.04 (dd, J = 7.9, 1.6 Hz, 2H), 7.94 (d, J = 8.7 Hz, 1H), 7.57 (d, J = 2.2 Hz, 1H), 7.47 (m, 3H), 7.32 (dd, J = 8.4, 7.5 Hz, 2H), 7.17 (dd, J = 8.7, 2.2 Hz, 1H), 7.14 (dd, J = 8.5, 0.9 Hz, 2H), 7.00 (dd, J = 7.5, 0.9 Hz, 1H), 5.87 (br s, 1H) | null | [('dd', ['7.9Hz', '1.6Hz'], '2H', 8.04, 8.04), ('d', ['8.7Hz'], '1H', 7.94, 7.94), ('d', ['2.2Hz'], '1H', 7.57, 7.57), ('m', [], '3H', 7.47, 7.47), ('dd', ['8.4Hz', '7.5Hz'], '2H', 7.32, 7.32), ('dd', ['8.7Hz', '2.2Hz'], '1H', 7.17, 7.17), ('dd', ['8.5Hz', '0.9Hz'], '2H', 7.14, 7.14), ('dd', ['7.5Hz', '0.9Hz'], '1H', 7... | 14 | 10 | 14 |
10.1021_acs.orglett.1c01861 | Nc1ccc2nc(-c3ccccc3)sc2c1 | 15 | 15 | [0.14331343 0.45468752 0.32934286 0.49843752] | [0.1405331 0.45390628 0.85735296 0.52109377] | 1H NMR | 600 MHz | CDCl3 | 8.00-8.03 (m, 2H), 7.84 (d, J = 8.6 Hz, 1H), 7.42-7.48 (m, 3H), 7.14 (d, J = 2.3 Hz, 1H), 6.85 (dd, J = 8.6, 2.3 Hz, 1H), 3.85 (br s, 2H) | null | [('m', [], '2H', 8.03, 8.0), ('d', ['8.6Hz'], '1H', 7.84, 7.84), ('m', [], '3H', 7.48, 7.42), ('d', ['2.3Hz'], '1H', 7.14, 7.14), ('dd', ['8.6Hz', '2.3Hz'], '1H', 6.85, 6.85), ('brs', [], '2H', 3.85, 3.85)] | 10 | 7 | 10 |
10.1021_acs.orglett.1c01861 | c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ncsc4c3)cc2)cc1 | 16 | 16 | [0.14432446 0.11347657 0.31746325 0.20800783] | [0.33566179 0.11074219 0.85836403 0.22402345] | 1H NMR | 600 MHz | CDCl3 | 8.97 (s, 1H), 8.16 (d, J = 8.4 Hz, 1H), 8.12 (d, J = 1.8 Hz, 1H), 7.73 (dd, J = 8.5, 1.8 Hz, 1H), 7.53 (d, J = 8.6 Hz, 2H), 7.28 (t, J = 7.9 Hz, 4H), 7.16 (t, J = 8.7 Hz, 6H), 7.05 (t, J = 7.3 Hz, 2H) | null | [('s', [], '1H', 8.97, 8.97), ('d', ['8.4Hz'], '1H', 8.16, 8.16), ('d', ['1.8Hz'], '1H', 8.12, 8.12), ('dd', ['8.5Hz', '1.8Hz'], '1H', 7.73, 7.73), ('d', ['8.6Hz'], '2H', 7.53, 7.53), ('t', ['7.9Hz'], '4H', 7.28, 7.28), ('t', ['8.7Hz'], '6H', 7.16, 7.16), ('t', ['7.3Hz'], '2H', 7.05, 7.05)] | 18 | 9 | 18 |
10.1021_acs.orglett.1c01861 | c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ncsc4c3)cc2)cc1 | 16 | 16 | [0.14432446 0.11347657 0.31746325 0.20800783] | [0.33566179 0.11074219 0.85836403 0.22402345] | 13C NMR | 151 MHz | CDCl3 | 153.7, 152.2, 147.5, 138.6, 134.5, 134.1, 129.3, 128.1, 125.5, 124.6, 123.7, 123.6, 123.1, 119.5 | null | [(153.7, None, None), (152.2, None, None), (147.5, None, None), (138.6, None, None), (134.5, None, None), (134.1, None, None), (129.3, None, None), (128.1, None, None), (125.5, None, None), (124.6, None, None), (123.7, None, None), (123.6, None, None), (123.1, None, None), (119.5, None, None)] | 25 | 15 | 14 |
10.1021_acs.orglett.1c01861 | COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4ncsc4c3)cc2)cc1 | 16 | 16 | [0.1416705 0.50078128 0.34071694 0.61484377] | [0.35613513 0.49609379 0.85735296 0.61015628] | 1H NMR | 600 MHz | CDCl3 | 8.95 (s, 1H), 8.14 (d, J = 8.6 Hz, 1H), 8.09 (d, J = 1.9 Hz, 1H), 7.71 (dd, J = 8.5, 1.9 Hz, 1H), 7.46 (d, J = 8.7 Hz, 2H), 7.10 (d, J = 9.0 Hz, 4H), 7.01 (d, J = 8.7 Hz, 2H), 6.85 (d, J = 9.0 Hz, 4H), 3.80 (s, 6H) | null | [('s', [], '1H', 8.95, 8.95), ('d', ['8.6Hz'], '1H', 8.14, 8.14), ('d', ['1.9Hz'], '1H', 8.09, 8.09), ('dd', ['8.5Hz', '1.9Hz'], '1H', 7.71, 7.71), ('d', ['8.7Hz'], '2H', 7.46, 7.46), ('d', ['9.0Hz'], '4H', 7.1, 7.1), ('d', ['8.7Hz'], '2H', 7.01, 7.01), ('d', ['9.0Hz'], '4H', 6.85, 6.85), ('s', [], '6H', 3.8, 3.8)] | 22 | 9 | 22 |
10.1021_acs.orglett.1c01861 | COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4ncsc4c3)cc2)cc1 | 16 | 16 | [0.1416705 0.50078128 0.34071694 0.61484377] | [0.35613513 0.49609379 0.85735296 0.61015628] | 13C NMR | 151 MHz | CDCl3 | 156.2, 153.7, 152.2, 148.7, 140.9, 139.0, 134.7, 132.2, 128.0, 126.9, 125.6, 123.7, 120.7, 119.4, 115.0, 55.7, 55.7 | null | [(156.2, None, None), (153.7, None, None), (152.2, None, None), (148.7, None, None), (140.9, None, None), (139.0, None, None), (134.7, None, None), (132.2, None, None), (128.0, None, None), (126.9, None, None), (125.6, None, None), (123.7, None, None), (120.7, None, None), (119.4, None, None), (115.0, None, None), (55.... | 27 | 16 | 17 |
10.1021_acs.orglett.1c01861 | C(#Cc1ccc2ncsc2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 | 17 | 17 | [0.14141775 0.12128907 0.34779413 0.23125001] | [0.36194855 0.11835938 0.85836403 0.23203125] | 1H NMR | 600 MHz | CDCl3 | 9.01 (s, 1H), 8.11 (d, J = 1.6 Hz, 1H), 8.08 (d, J = 8.5 Hz, 1H), 7.64 (dd, J = 8.5, 1.6 Hz, 1H), 7.39 (d, J = 8.7 Hz, 2H), 7.28 (dd, J = 8.5, 7.4 Hz, 4H), 7.12 (dd, J = 8.5, 1.1 Hz, 4H), 7.07 (dd, J = 7.4, 1.1 Hz, 2H), 7.02 (d, J = 8.7 Hz, 2H) | null | [('s', [], '1H', 9.01, 9.01), ('d', ['1.6Hz'], '1H', 8.11, 8.11), ('d', ['8.5Hz'], '1H', 8.08, 8.08), ('dd', ['8.5Hz', '1.6Hz'], '1H', 7.64, 7.64), ('d', ['8.7Hz'], '2H', 7.39, 7.39), ('dd', ['8.5Hz', '7.4Hz'], '4H', 7.28, 7.28), ('dd', ['8.5Hz', '1.1Hz'], '4H', 7.12, 7.12), ('dd', ['7.4Hz', '1.1Hz'], '2H', 7.07, 7.07)... | 18 | 9 | 18 |
10.1021_acs.orglett.1c01861 | C(#Cc1ccc2ncsc2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 | 17 | 17 | [0.14141775 0.12128907 0.34779413 0.23125001] | [0.36194855 0.11835938 0.85836403 0.23203125] | 13C NMR | 151 MHz | CDCl3 | 154.9, 152.8, 148.3, 147.3, 134.1, 132.8, 129.9, 129.6, 125.3, 125.0, 123.8, 123.6, 122.4, 121.4, 115.8, 91.0, 88.3 | null | [(154.9, None, None), (152.8, None, None), (148.3, None, None), (147.3, None, None), (134.1, None, None), (132.8, None, None), (129.9, None, None), (129.6, None, None), (125.3, None, None), (125.0, None, None), (123.8, None, None), (123.6, None, None), (122.4, None, None), (121.4, None, None), (115.8, None, None), (91.... | 27 | 17 | 17 |
10.1021_acs.orglett.1c01861 | COc1ccc(N(c2ccc(C#Cc3ccc4ncsc4c3)cc2)c2ccc(OC)cc2)cc1 | 17 | 17 | [0.14445083 0.5617188 0.39126841 0.69843755] | [0.40946694 0.55937503 0.85836403 0.69765627] | 1H NMR | 600 MHz | CDCl3 | 9.00 (s, 1H), 8.10 (d, J = 0.9 Hz, 1H), 8.07 (d, J = 8.5 Hz, 1H), 7.63 (dd, J = 8.5, 1.4 Hz, 1H), 7.33 (d, J = 8.7 Hz, 2H), 7.08 (d, J = 8.9 Hz, 4H), 6.86 (dd, J = 8.9, 2.5 Hz, 6H), 3.81 (s, 6H) | null | [('s', [], '1H', 9.0, 9.0), ('d', ['0.9Hz'], '1H', 8.1, 8.1), ('d', ['8.5Hz'], '1H', 8.07, 8.07), ('dd', ['8.5Hz', '1.4Hz'], '1H', 7.63, 7.63), ('d', ['8.7Hz'], '2H', 7.33, 7.33), ('d', ['8.9Hz'], '4H', 7.08, 7.08), ('dd', ['8.9Hz', '2.5Hz'], '6H', 6.86, 6.86), ('s', [], '6H', 3.81, 3.81)] | 22 | 9 | 22 |
10.1021_acs.orglett.1c01861 | COc1ccc(N(c2ccc(C#Cc3ccc4ncsc4c3)cc2)c2ccc(OC)cc2)cc1 | 17 | 17 | [0.14445083 0.5617188 0.39126841 0.69843755] | [0.40946694 0.55937503 0.85836403 0.69765627] | 13C NMR | 151 MHz | CDCl3 | 156.4, 154.6, 149.0, 140.1, 132.5, 129.6, 127.2, 124.7, 123.4, 121.5, 119.5, 114.8, 113.4, 91.2, 87.5, 55.5 | null | [(156.4, None, None), (154.6, None, None), (149.0, None, None), (140.1, None, None), (132.5, None, None), (129.6, None, None), (127.2, None, None), (124.7, None, None), (123.4, None, None), (121.5, None, None), (119.5, None, None), (114.8, None, None), (113.4, None, None), (91.2, None, None), (87.5, None, None), (55.5,... | 29 | 18 | 16 |
10.1021_acs.orglett.1c01861 | C(=C/c1ccc2ncsc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 | 18 | 18 | [0.14533549 0.17763673 0.36422336 0.27929689] | [0.38014707 0.17685547 0.859375 0.28945314] | 1H NMR | 600 MHz | CDCl3 | 8.96 (s, 1H), 8.10 (d, J = 8.5 Hz, 1H), 8.04 (d, J = 1.8 Hz, 1H), 7.70 (dd, J = 8.5, 1.8 Hz, 1H), 7.42 (d, J = 8.7 Hz, 2H), 7.29 (d, J = 7.4 Hz, 2H), 7.19-7.03 (m, 12H) | null | [('s', [], '1H', 8.96, 8.96), ('d', ['8.5Hz'], '1H', 8.1, 8.1), ('d', ['1.8Hz'], '1H', 8.04, 8.04), ('dd', ['8.5Hz', '1.8Hz'], '1H', 7.7, 7.7), ('d', ['8.7Hz'], '2H', 7.42, 7.42), ('d', ['7.4Hz'], '2H', 7.29, 7.29), ('m', [], '12H', 7.19, 7.03)] | 20 | 11 | 20 |
10.1021_acs.orglett.1c01861 | C(=C/c1ccc2ncsc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 | 18 | 18 | [0.14533549 0.17763673 0.36422336 0.27929689] | [0.38014707 0.17685547 0.859375 0.28945314] | 13C NMR | 151 MHz | CDCl3 | 153.7, 152.6, 147.7, 147.5, 135.6, 134.6, 131.0, 129.3, 129.3, 127.4, 126.1, 124.6, 124.6, 123.6, 123.4, 123.2, 119.4 | null | [(153.7, None, None), (152.6, None, None), (147.7, None, None), (147.5, None, None), (135.6, None, None), (134.6, None, None), (131.0, None, None), (129.3, None, None), (129.3, None, None), (127.4, None, None), (126.1, None, None), (124.6, None, None), (124.6, None, None), (123.6, None, None), (123.4, None, None), (123... | 27 | 17 | 17 |
10.1021_acs.orglett.1c01861 | c1ccc2sc(-c3nc4ccccc4s3)nc2c1 | 19 | 19 | [0.55909928 0.44453126 0.72895225 0.4835938 ] | [0.1405331 0.50546877 0.859375 0.6710938 ] | 1H NMR | 600 MHz | CDCl3 | 8.17 (d, J = 8.2 Hz, 2H), 7.99 (d, J = 8.3 Hz, 2H), 7.57 (t, J = 7.8 Hz, 2H), 7.50 (t, J = 7.7 Hz, 2H) | null | [('d', ['8.2Hz'], '2H', 8.17, 8.17), ('d', ['8.3Hz'], '2H', 7.99, 7.99), ('t', ['7.8Hz'], '2H', 7.57, 7.57), ('t', ['7.7Hz'], '2H', 7.5, 7.5)] | 8 | 4 | 8 |
10.1021_acs.orglett.1c01861 | c1ccc2sc(-c3nc4ccccc4s3)nc2c1 | 19 | 19 | [0.55909928 0.44453126 0.72895225 0.4835938 ] | [0.1405331 0.50546877 0.859375 0.6710938 ] | 13C NMR | 151 MHz | CDCl3 | 161.5, 153.6, 135.9, 126.8, 126.6, 124.1, 122.0 | null | [(161.5, None, None), (153.6, None, None), (135.9, None, None), (126.8, None, None), (126.6, None, None), (124.1, None, None), (122.0, None, None)] | 14 | 7 | 7 |
10.1021_acs.orglett.1c01861 | c1ccc(N(c2ccccc2)c2ccc3nc(-c4nc5ccc(N(c6ccccc6)c6ccccc6)cc5s4)sc3c2)cc1 | 23 | 23 | [0.1647978 0.11269532 0.45749086 0.23847657] | [0.49211859 0.10605469 0.85836403 0.24433595] | 1H NMR | 600 MHz | CDCl3 | 8.31 (d, J = 9.2 Hz, 2H), 7.45 (dd, J = 9.2, 2.2 Hz, 2H), 7.42 (d, J = 2.2 Hz, 2H), 7.37 (t, J = 7.9 Hz, 8H), 7.21-7.18 (m, 12H) | null | [('d', ['9.2Hz'], '2H', 8.31, 8.31), ('dd', ['9.2Hz', '2.2Hz'], '2H', 7.45, 7.45), ('d', ['2.2Hz'], '2H', 7.42, 7.42), ('t', ['7.9Hz'], '8H', 7.37, 7.37), ('m', [], '12H', 7.21, 7.18)] | 26 | 6 | 26 |
10.1021_acs.orglett.1c01861 | c1ccc(N(c2ccccc2)c2ccc3nc(-c4nc5ccc(N(c6ccccc6)c6ccccc6)cc5s4)sc3c2)cc1 | 23 | 23 | [0.1647978 0.11269532 0.45749086 0.23847657] | [0.49211859 0.10605469 0.85836403 0.24433595] | 13C NMR | 151 MHz | CDCl3 | 158.40, 149.32, 146.36, 145.51, 136.06, 129.89, 125.76, 125.07, 124.26, 124.21, 112.22 | null | [(158.4, None, None), (149.32, None, None), (146.36, None, None), (145.51, None, None), (136.06, None, None), (129.89, None, None), (125.76, None, None), (125.07, None, None), (124.26, None, None), (124.21, None, None), (112.22, None, None)] | 38 | 11 | 11 |
10.1021_acs.orglett.1c01861 | C(=C/c1ccnc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 | 51 | 51 | [0.48327208 0.11884766 0.84016548 0.37265627] | [0.13851103 0.38691407 0.85836403 0.6476563 ] | 1H NMR | 600 MHz | CDCl3 | 8.64 (d, J = 5.1 Hz, 2H), 8.51 (d, J = 1.7 Hz, 2H), 7.43 (d, J = 8.1 Hz, 4H), 7.37 (dd, J = 5.2, 1.8 Hz, 2H), 7.29 (d, J = 7.4 Hz, 8H), 7.13 (d, J = 7.4 Hz, 8H), 7.08-7.05 (m, 8H), 7.01 (d, J = 16.1 Hz, 4H) | null | [('d', ['5.1Hz'], '2H', 8.64, 8.64), ('d', ['1.7Hz'], '2H', 8.51, 8.51), ('d', ['8.1Hz'], '4H', 7.43, 7.43), ('dd', ['5.2Hz', '1.8Hz'], '2H', 7.37, 7.37), ('d', ['7.4Hz'], '8H', 7.29, 7.29), ('d', ['7.4Hz'], '8H', 7.13, 7.13), ('m', [], '8H', 7.08, 7.05), ('d', ['16.1Hz'], '4H', 7.01, 7.01)] | 38 | 10 | 38 |
10.1039_c7cc00189d | O=C(Nc1cccc2c(NC(=O)c3cccc(C4=NCCO4)n3)cccc12)c1cccc(C2=NCCO2)n1 | 1 | 1 | [0.15464947 0.61015628 0.47112853 0.68515631] | [0.16017266 0.70000003 0.84339189 0.71406254] | 1H NMR | 400 MHz | CDCl3 | 10.89 (s, 2H), 8.56 (s, 2H), 8.37 (d, J = 27.9 Hz, 4H), 8.08 (d, J = 36.8 Hz, 4H), 7.69 (s, 2H), 4.10 (s, 6H) | null | [('s', [], '2H', 10.89, 10.89), ('s', [], '2H', 8.56, 8.56), ('d', ['27.9Hz'], '4H', 8.37, 8.37), ('d', ['36.8Hz'], '4H', 8.08, 8.08), ('s', [], '2H', 7.69, 7.69), ('s', [], '6H', 4.1, 4.1)] | 22 | 9 | 20 |
10.1021_jacs.5b01899 | CCOC(=O)C=C1C2CC3CC(C2)CC1C3 | 9 | 9 | [0.11829045 0.86328133 0.24972427 0.91484378] | [0.26691177 0.85156258 0.8826287 0.89218756] | 1H NMR | 400 MHz | CDCl3 | 1.27 (t, J = 7.1 Hz, 3H, CH3), 1.78-1.89 (m, 6H), 1.91-1.99 (m, 6H), 2.43 (br s, 1H), 4.07 (br s, 1H), 4.14 (q, J = 7.1 Hz, 2H, OCH2), 5.58 (s, 1H, C=CH) | null | [('t', ['7.1Hz'], '3H', 1.27, 1.27), ('m', [], '6H', 1.89, 1.78), ('m', [], '6H', 1.99, 1.91), ('brs', [], '1H', 2.43, 2.43), ('brs', [], '1H', 4.07, 4.07), ('q', ['7.1Hz'], '2H', 4.14, 4.14), ('s', [], '1H', 5.58, 5.58)] | 20 | 7 | 20 |
10.1021_jacs.5b01899 | CCOC(=O)/C=C/[C@@](C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C | 10 | 10 | [0.11753218 0.18164064 0.28030792 0.26015627] | [0.29648438 0.17226564 0.8826287 0.26562502] | 13C NMR | 101 MHz | CDCl3 | 14.4, 19.5, 23.5, 27.0, 39.6, 60.31, 71.8, 119.2, 127.8, 129.8, 133.6, 135.8, 155.9, 167.1 | null | [(14.4, None, None), (19.5, None, None), (23.5, None, None), (27.0, None, None), (39.6, None, None), (60.31, None, None), (71.8, None, None), (119.2, None, None), (127.8, None, None), (129.8, None, None), (133.6, None, None), (135.8, None, None), (155.9, None, None), (167.1, None, None)] | 25 | 14 | 14 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.