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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1002_anie.202414612 | CCOC(C(CCOCc1ccccc1)=C(C)C)=O | 3 | 3 | [0.44941309 0.54531251 0.55001975 0.60859379] | [0.08955095 0.62109375 0.91319857 0.70234379] | 13C NMR | 101 MHz | CDCl3 | 169.5, 144.8, 138.7, 128.4, 127.6, 127.6, 124.3, 72.9, 69.3, 60.2, 30.6, 23.2, 22.3, 14.4 | null | [(169.5, None, None), (144.8, None, None), (138.7, None, None), (128.4, None, None), (127.6, None, None), (127.6, None, None), (124.3, None, None), (72.9, None, None), (69.3, None, None), (60.2, None, None), (30.6, None, None), (23.2, None, None), (22.3, None, None), (14.4, None, None)] | 16 | 13 | 14 |
10.1002_anie.202414612 | CC(=O)ON=C(c1ccccc1)CC(C)=C(C)C | 4 | 4 | [0.44112133 0.11367188 0.5577587 0.16347658] | [0.08899817 0.17763673 0.7877167 0.21757814] | 1H NMR | 400 MHz | CDCl3 | 7.66-7.60 (m, 2H), 7.44-7.32 (m, 3H), 3.67 (s, 2H), 2.24 (s, 3H), 1.74 (s, 3H), 1.63 (s, 3H), 1.51 (s, 3H) | null | [('m', [], '2H', 7.66, 7.6), ('m', [], '3H', 7.44, 7.32), ('s', [], '2H', 3.67, 3.67), ('s', [], '3H', 2.24, 2.24), ('s', [], '3H', 1.74, 1.74), ('s', [], '3H', 1.63, 1.63), ('s', [], '3H', 1.51, 1.51)] | 19 | 7 | 19 |
10.1002_anie.202414612 | CC(=O)ON=C(c1ccccc1)CC(C)=C(C)C | 4 | 4 | [0.44112133 0.11367188 0.5577587 0.16347658] | [0.08899817 0.17763673 0.7877167 0.21757814] | 13C NMR | 101 MHz | CDCl3 | 168.9, 165.5, 134.9, 130.3, 128.5, 127.7, 127.5, 121.6, 33.3, 20.9, 20.9, 20.0, 17.7 | null | [(168.9, None, None), (165.5, None, None), (134.9, None, None), (130.3, None, None), (128.5, None, None), (127.7, None, None), (127.5, None, None), (121.6, None, None), (33.3, None, None), (20.9, None, None), (20.9, None, None), (20.0, None, None), (17.7, None, None)] | 15 | 12 | 13 |
10.1002_anie.202414612 | CC(=O)ON=C(CC(C)=C(C)C)c1ccc(OC)cc1 | 4 | 4 | [0.41679888 0.41875003 0.58373952 0.47500001] | [0.19015757 0.48945317 0.72082986 0.50351565] | 1H NMR | 400 MHz | CDCl3 | 7.65-7.60 (m, 2H), 6.90-6.85 (m, 2H), 3.82 (s, 3H), 3.64 (s, 2H), 2.23 (s, 3H), 1.77 (s, 3H), 1.64 (s, 3H), 1.50 (s, 3H) | Major isomer | [('m', [], '2H', 7.65, 7.6), ('m', [], '2H', 6.9, 6.85), ('s', [], '3H', 3.82, 3.82), ('s', [], '2H', 3.64, 3.64), ('s', [], '3H', 2.23, 2.23), ('s', [], '3H', 1.77, 1.77), ('s', [], '3H', 1.64, 1.64), ('s', [], '3H', 1.5, 1.5)] | 21 | 7 | 21 |
10.1002_anie.202414612 | CC(=O)ON=C(CC(C)=C(C)C)c1ccc(OC)cc1 | 4 | 4 | [0.41679888 0.41875003 0.58373952 0.47500001] | [0.19015757 0.48945317 0.72082986 0.50351565] | 13C NMR | 101 MHz | CDCl3 | 169.1, 164.9, 161.4, 129.0, 127.3, 127.2, 122.0, 113.9, 55.4, 33.0, 20.9 (2C), 20.1, 17.5 | Major isomer | [(169.1, None, None), (164.9, None, None), (161.4, None, None), (129.0, None, None), (127.3, None, None), (127.2, None, None), (122.0, None, None), (113.9, None, None), (55.4, None, None), (33.0, None, None), (20.9, None, None), (20.1, None, None), (17.5, None, None)] | 16 | 13 | 13 |
10.1002_anie.202414612 | O(N=C(CC(C)=C(C)C)c1ccc2ccccc2c1)C(C)=O | 7 | 7 | [0.41790443 0.29726564 0.58042285 0.35039065] | [0.09010373 0.36484377 0.79269173 0.40546876] | 1H NMR | 400 MHz | CDCl3 | 8.11 (s, 1H), 7.88-7.80 (m, 4H), 7.55-7.47 (m, 2H), 3.79 (s, 2H), 2.28 (s, 3H), 1.83 (s, 3H), 1.64 (s, 3H), 1.54 (s, 3H) | Major isomer | [('s', [], '1H', 8.11, 8.11), ('m', [], '4H', 7.88, 7.8), ('m', [], '2H', 7.55, 7.47), ('s', [], '2H', 3.79, 3.79), ('s', [], '3H', 2.28, 2.28), ('s', [], '3H', 1.83, 1.83), ('s', [], '3H', 1.64, 1.64), ('s', [], '3H', 1.54, 1.54)] | 21 | 11 | 21 |
10.1002_anie.202414612 | O(N=C(CC(C)=C(C)C)c1ccc2ccccc2c1)C(C)=O | 7 | 7 | [0.41790443 0.29726564 0.58042285 0.35039065] | [0.09010373 0.36484377 0.79269173 0.40546876] | 13C NMR | 101 MHz | CDCl3 | 169.0, 165.3, 134.3, 133.0, 132.2, 128.9, 128.2, 127.9, 127.8, 127.6, 127.3, 126.6, 124.4, 121.9, 33.2, 21.0, 21.0, 20.1, 17.7 | Major isomer | [(169.0, None, None), (165.3, None, None), (134.3, None, None), (133.0, None, None), (132.2, None, None), (128.9, None, None), (128.2, None, None), (127.9, None, None), (127.8, None, None), (127.6, None, None), (127.3, None, None), (126.6, None, None), (124.4, None, None), (121.9, None, None), (33.2, None, None), (21.0... | 19 | 18 | 19 |
10.1002_anie.202414612 | CC(=O)ON=C(c1occc1)CC(C)=C(C)C | 8 | 8 | [0.43780466 0.23144533 0.56273373 0.28066408] | [0.19015757 0.29433595 0.72082986 0.30878907] | 1H NMR | not_known | not_known | 7.51 (dd, J = 1.8, 0.8 Hz, 1H), 6.86 (dd, J = 3.5, 0.8 Hz, 1H), 6.46 (dd, J = 3.5, 1.8 Hz, 1H), 3.57 (s, 2H), 2.22 (s, 3H), 1.82 (s, 3H), 1.68 (s, 3H), 1.56 (s, 3H) | major isomer | [('dd', ['1.8Hz', '0.8Hz'], '1H', 7.51, 7.51), ('dd', ['3.5Hz', '0.8Hz'], '1H', 6.86, 6.86), ('dd', ['3.5Hz', '1.8Hz'], '1H', 6.46, 6.46), ('s', [], '2H', 3.57, 3.57), ('s', [], '3H', 2.22, 2.22), ('s', [], '3H', 1.82, 1.82), ('s', [], '3H', 1.68, 1.68), ('s', [], '3H', 1.56, 1.56)] | 17 | 7 | 17 |
10.1002_anie.202414612 | CC(=O)ON=C(c1occc1)CC(C)=C(C)C | 8 | 8 | [0.43780466 0.23144533 0.56273373 0.28066408] | [0.19015757 0.29433595 0.72082986 0.30878907] | 13C NMR | 101 MHz | CDCl3 | 168.4, 156.5, 148.5, 144.9, 127.4, 121.8, 113.6, 111.8, 32.2, 21.0, 19.8, 17.4 | major isomer | [(168.4, None, None), (156.5, None, None), (148.5, None, None), (144.9, None, None), (127.4, None, None), (121.8, None, None), (113.6, None, None), (111.8, None, None), (32.2, None, None), (21.0, None, None), (19.8, None, None), (17.4, None, None)] | 13 | 12 | 12 |
10.1002_anie.202414612 | CC(=O)ON=C(c1ccccc1)CC(C(C)C)=C(C)C | 10 | 10 | [0.44112133 0.36875002 0.55720589 0.41796879] | [0.08955095 0.43203126 0.7871639 0.44687502] | 1H NMR | 400 MHz | CDCl3 | 7.52-7.48 (m, 2H), 7.40-7.30 (m, 3H), 3.59 (brs, 2H), 2.77 (hept, J = 7.0 Hz, 1H), 2.25 (s, 3H), 1.65 (s, 3H), 1.61 (s, 3H), 0.87 (d, J = 7.0 Hz, 6H) | null | [('m', [], '2H', 7.52, 7.48), ('m', [], '3H', 7.4, 7.3), ('brs', [], '2H', 3.59, 3.59), ('hept', ['7.0Hz'], '1H', 2.77, 2.77), ('s', [], '3H', 2.25, 2.25), ('s', [], '3H', 1.65, 1.65), ('s', [], '3H', 1.61, 1.61), ('d', ['7.0Hz'], '6H', 0.87, 0.87)] | 23 | 8 | 23 |
10.1002_anie.202414612 | CC(=O)ON=C(c1ccccc1)CC=C(C)C | 12 | 12 | [0.43891022 0.25078126 0.55941706 0.30078127] | [0.08955095 0.31445312 0.77831939 0.32851564] | 1H NMR | not_known | not_known | 7.73-7.68 (m, 2H), 7.46-7.36 (m, 3H), 5.12-5.07 (m, 1H), 3.57-3.54 (m, 2H), 2.26 (s, 3H), 1.72 (d, J = 1.3 Hz, 3H), 1.69 (apparent d, J = 1.4 Hz, 3H) | Major isomer | [('m', [], '2H', 7.73, 7.68), ('m', [], '3H', 7.46, 7.36), ('m', [], '1H', 5.12, 5.07), ('m', [], '2H', 3.57, 3.54), ('s', [], '3H', 2.26, 2.26), ('d', ['1.3Hz'], '3H', 1.72, 1.72), ('app d', ['1.4Hz'], '3H', 1.69, 1.69)] | 17 | 7 | 17 |
10.1002_anie.202414612 | CC(=O)ON=C(c1ccccc1)CC=C(C)C | 12 | 12 | [0.43891022 0.25078126 0.55941706 0.30078127] | [0.08955095 0.31445312 0.77831939 0.32851564] | 13C NMR | 101 MHz | CDCl3 | 169.0, 164.9, 135.3, 134.3, 130.6, 128.7, 127.5, 117.1, 28.3, 25.8, 20.0, 18.2 | Major isomer | [(169.0, None, None), (164.9, None, None), (135.3, None, None), (134.3, None, None), (130.6, None, None), (128.7, None, None), (127.5, None, None), (117.1, None, None), (28.3, None, None), (25.8, None, None), (20.0, None, None), (18.2, None, None)] | 14 | 11 | 12 |
10.1002_anie.202414612 | COC(=O)CCC(C(c1ccccc1)=O)C(C)=C(C)C | 19 | 19 | [0.44554361 0.61640629 0.55554758 0.68203126] | [0.0878926 0.69531257 0.90822354 0.72968754] | 1H NMR | 400 MHz | CDCl3 | 7.91-7.86 (m, 2H), 7.54-7.48 (m, 1H), 7.43-7.37 (m, 2H), 4.50-4.44 (m, 1H), 3.66 (s, 3H), 2.40-2.19 (m, 3H), 1.95-1.85 (m, 4H), 1.66 (s, 3H), 1.43-1.40 (m, 3H) | null | [('m', [], '2H', 7.91, 7.86), ('m', [], '1H', 7.54, 7.48), ('m', [], '2H', 7.43, 7.37), ('m', [], '1H', 4.5, 4.44), ('s', [], '3H', 3.66, 3.66), ('m', [], '3H', 2.4, 2.19), ('m', [], '4H', 1.95, 1.85), ('s', [], '3H', 1.66, 1.66), ('m', [], '3H', 1.43, 1.4)] | 22 | 9 | 22 |
10.1002_anie.202414612 | COC(=O)CCC(C(c1ccccc1)=O)C(C)=C(C)C | 19 | 19 | [0.44554361 0.61640629 0.55554758 0.68203126] | [0.0878926 0.69531257 0.90822354 0.72968754] | 13C NMR | 101 MHz | CDCl3 | 201.5, 174.2, 137.4, 132.8, 129.1, 128.5, 128.1, 125.5, 51.7, 50.4, 31.5, 24.4, 21.2, 21.0, 13.9 | null | [(201.5, None, None), (174.2, None, None), (137.4, None, None), (132.8, None, None), (129.1, None, None), (128.5, None, None), (128.1, None, None), (125.5, None, None), (51.7, None, None), (50.4, None, None), (31.5, None, None), (24.4, None, None), (21.2, None, None), (21.0, None, None), (13.9, None, None)] | 17 | 14 | 15 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]2(C)C(C)=C)ccccc1 | 22 | 22 | [0.45272981 0.60781255 0.54615022 0.67343756] | [0.08955095 0.68671879 0.90877634 0.72109376] | 1H NMR | 400 MHz | CDCl3 | 8.06-8.03 (m, 4H), 7.52-7.46 (m, 3H), 7.38 (t, J = 7.7 Hz, 2H), 7.25-7.19 (m, 1H), 5.84 (s, 1H), 5.07 (d, J = 1.5 Hz, 1H), 4.95 (quint, J = 1.3 Hz, 1H), 3.24 (d, J = 18.3 Hz, 1H), 2.89 (d, J = 18.4 Hz, 1H), 1.67 (d, J = 1.3 Hz, 3H), 1.45 (s, 3H) | null | [('m', [], '4H', 8.06, 8.03), ('m', [], '3H', 7.52, 7.46), ('t', ['7.7Hz'], '2H', 7.38, 7.38), ('m', [], '1H', 7.25, 7.19), ('s', [], '1H', 5.84, 5.84), ('d', ['1.5Hz'], '1H', 5.07, 5.07), ('p', ['1.3Hz'], '1H', 4.95, 4.95), ('d', ['18.3Hz'], '1H', 3.24, 3.24), ('d', ['18.4Hz'], '1H', 2.89, 2.89), ('d', ['1.3Hz'], '3H'... | 21 | 11 | 21 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]2(C)C(C)=C)ccccc1 | 22 | 22 | [0.45272981 0.60781255 0.54615022 0.67343756] | [0.08955095 0.68671879 0.90877634 0.72109376] | 13C NMR | 101 MHz | CDCl3 | 174.3, 163.4, 149.0, 137.5, 134.5, 131.3, 129.6, 128.7, 128.4, 128.3, 126.6, 117.1, 110.7, 50.8, 46.9, 27.0, 19.9 | null | [(174.3, None, None), (163.4, None, None), (149.0, None, None), (137.5, None, None), (134.5, None, None), (131.3, None, None), (129.6, None, None), (128.7, None, None), (128.4, None, None), (128.3, None, None), (126.6, None, None), (117.1, None, None), (110.7, None, None), (50.8, None, None), (46.9, None, None), (27.0,... | 21 | 17 | 17 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc(OC)cc3)C[C@@]2(C)C(C)=C)ccccc1 | 23 | 23 | [0.42398505 0.11347657 0.57544776 0.19589844] | [0.08955095 0.21015626 0.90822354 0.24375002] | 1H NMR | 400 MHz | CDCl3 | 8.04-7.97 (m, 4H), 7.38-7.32 (m, 2H), 7.21-7.16 (m, 1H), 7.01-6.96 (m, 2H), 5.75 (s, 1H), 5.04 (dd, J = 1.5, 0.8 Hz, 1H), 4.92 (quint, J = 1.4 Hz, 1H), 3.88 (s, 3H), 3.19 (d, J = 18.2 Hz, 1H), 2.84 (d, J = 18.2 Hz, 1H), 1.70-1.57 (d, J = 0.8 Hz, 3H), 1.42 (s, 3H) | null | [('m', [], '4H', 8.04, 7.97), ('m', [], '2H', 7.38, 7.32), ('m', [], '1H', 7.21, 7.16), ('m', [], '2H', 7.01, 6.96), ('s', [], '1H', 5.75, 5.75), ('dd', ['1.5Hz', '0.8Hz'], '1H', 5.04, 5.04), ('p', ['1.4Hz'], '1H', 4.92, 4.92), ('s', [], '3H', 3.88, 3.88), ('d', ['18.2Hz'], '1H', 3.19, 3.19), ('d', ['18.2Hz'], '1H', 2.... | 23 | 11 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc(OC)cc3)C[C@@]2(C)C(C)=C)ccccc1 | 23 | 23 | [0.42398505 0.11347657 0.57544776 0.19589844] | [0.08955095 0.21015626 0.90822354 0.24375002] | 13C NMR | 101 MHz | CDCl3 | 173.8, 163.7, 162.3, 149.2, 137.7, 130.2, 129.5, 128.3, 127.4, 126.3, 115.9, 114.1, 110.6, 55.6, 50.9, 46.8, 27.1, 19.9 | null | [(173.8, None, None), (163.7, None, None), (162.3, None, None), (149.2, None, None), (137.7, None, None), (130.2, None, None), (129.5, None, None), (128.3, None, None), (127.4, None, None), (126.3, None, None), (115.9, None, None), (114.1, None, None), (110.6, None, None), (55.6, None, None), (50.9, None, None), (46.8,... | 22 | 18 | 18 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc(Br)cc3)C[C@@]2(C)C(C)=C)ccccc1 | 23 | 23 | [0.43061847 0.49140629 0.56881437 0.57265626] | [0.09065652 0.58671878 0.90877634 0.62109375] | 1H NMR | 400 MHz | CDCl3 | 8.02-7.97 (m, 2H), 7.91-7.86 (m, 2H), 7.63-7.58 (m, 2H), 7.39-7.33 (m, 2H), 7.24-7.18 (m, 1H), 5.84 (s, 1H), 5.05 (apparent d, J = 0.8 Hz, 1H), 4.94 (quint, J = 1.4 Hz, 1H), 3.18 (d, J = 18.4 Hz, 1H), 2.84 (d, J = 18.3 Hz, 1H), 1.64 (d, J = 1.2 Hz, 3H), 1.43 (s, 3H) | null | [('m', [], '2H', 8.02, 7.97), ('m', [], '2H', 7.91, 7.86), ('m', [], '2H', 7.63, 7.58), ('m', [], '2H', 7.39, 7.33), ('m', [], '1H', 7.24, 7.18), ('s', [], '1H', 5.84, 5.84), ('app d', ['0.8Hz'], '1H', 5.05, 5.05), ('p', ['1.4Hz'], '1H', 4.94, 4.94), ('d', ['18.4Hz'], '1H', 3.18, 3.18), ('d', ['18.3Hz'], '1H', 2.84, 2.... | 20 | 10 | 20 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc(Br)cc3)C[C@@]2(C)C(C)=C)ccccc1 | 23 | 23 | [0.43061847 0.49140629 0.56881437 0.57265626] | [0.09065652 0.58671878 0.90877634 0.62109375] | 13C NMR | 101 MHz | CDCl3 | 173.0, 163.1, 148.7, 137.2, 133.3, 131.9, 129.7, 129.5, 128.3, 126.7, 125.8, 117.6, 110.8, 50.8, 46.7, 26.9, 19.8 | null | [(173.0, None, None), (163.1, None, None), (148.7, None, None), (137.2, None, None), (133.3, None, None), (131.9, None, None), (129.7, None, None), (129.5, None, None), (128.3, None, None), (126.7, None, None), (125.8, None, None), (117.6, None, None), (110.8, None, None), (50.8, None, None), (46.7, None, None), (26.9,... | 21 | 17 | 17 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)C[C@@]2(C)C(C)=C)ccccc1 | 24 | 24 | [0.42840733 0.08657227 0.57323665 0.17089846] | [0.08899817 0.18476563 0.90822354 0.21914064] | 13C NMR | 101 MHz | CDCl3 | 172.7, 163.0, 148.6, 137.7, 137.1, 132.6 (q, J = 32.6 Hz), 129.8, 128.6, 128.4, 127.0, 125.7 (q, J = 3.9 Hz), 124.1 (q, J = 272.5 Hz), 118.6, 111.1, 51.0, 46.9, 27.0, 19.9 | null | [(172.7, None, None), (163.0, None, None), (148.6, None, None), (137.7, None, None), (137.1, None, None), (132.6, 'q', 32.6), (129.8, None, None), (128.6, None, None), (128.4, None, None), (127.0, None, None), (125.7, 'q', 3.9), (124.1, 'q', 272.5), (118.6, None, None), (111.1, None, None), (51.0, None, None), (46.9, N... | 22 | 18 | 18 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)C[C@@]2(C)C(C)=C)ccccc1 | 24 | 24 | [0.42840733 0.08657227 0.57323665 0.17089846] | [0.08899817 0.18476563 0.90822354 0.21914064] | 19F NMR | 377 MHz | CDCl3 | -62.8 | null | [(-62.8, None, None)] | 3 | 1 | 1 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3cccc(Cl)c3)C[C@@]2(C)C(C)=C)ccccc1 | 24 | 24 | [0.4289601 0.47109376 0.57157829 0.54765628] | [0.09010373 0.56171879 0.90877634 0.59609376] | 1H NMR | 400 MHz | CDCl3 | 8.03-7.99 (m, 3H), 7.91 (dt, J = 7.5, 1.5 Hz, 1H), 7.48-7.36 (m, 4H), 7.26-7.21 (m, 1H), 5.86 (s, 1H), 5.06 (br s, 1H), 4.95 (quint, J = 1.4 Hz, 1H), 3.20 (d, J = 18.3, 1H), 2.85 (d, J = 18.3 Hz, 1H), 1.65 (d, J = 1.2 Hz, 3H), 1.44 (s, 3H) | null | [('m', [], '3H', 8.03, 7.99), ('dt', ['7.5Hz', '1.5Hz'], '1H', 7.91, 7.91), ('m', [], '4H', 7.48, 7.36), ('m', [], '1H', 7.26, 7.21), ('s', [], '1H', 5.86, 5.86), ('brs', [], '1H', 5.06, 5.06), ('p', ['1.4Hz'], '1H', 4.95, 4.95), ('d', "['18.3Hz']", '1H', 3.2, 3.2), ('d', ['18.3Hz'], '1H', 2.85, 2.85), ('d', ['1.2Hz'],... | 20 | 12 | 20 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3cccc(Cl)c3)C[C@@]2(C)C(C)=C)ccccc1 | 24 | 24 | [0.4289601 0.47109376 0.57157829 0.54765628] | [0.09010373 0.56171879 0.90877634 0.59609376] | 13C NMR | 101 MHz | CDCl3 | 172.9, 163.0, 148.7, 137.2, 136.3, 134.8, 131.2, 130.0, 129.7, 128.4, 128.3, 126.9, 126.4, 118.1, 111.0, 50.9, 46.9, 27.0, 19.9 | null | [(172.9, None, None), (163.0, None, None), (148.7, None, None), (137.2, None, None), (136.3, None, None), (134.8, None, None), (131.2, None, None), (130.0, None, None), (129.7, None, None), (128.4, None, None), (128.3, None, None), (126.9, None, None), (126.4, None, None), (118.1, None, None), (111.0, None, None), (50.... | 21 | 19 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3cccc(OC)c3)C[C@@]2(C)C(C)=C)ccccc1 | 25 | 25 | [0.42232671 0.08691407 0.57710612 0.16308594] | [0.09010373 0.17753907 0.90932904 0.21152344] | 1H NMR | 400 MHz | CDCl3 | 8.03 (d, J = 7.8 Hz, 2H), 7.64 (brs, 1H), 7.59 (d, J = 7.6 Hz, 1H), 7.43-7.33 (m, 3H), 7.21 (t, J = 7.4 Hz, 1H), 7.05 (dd, J = 8.2, 2.6 Hz, 1H), 5.83 (s, 1H), 5.06 (s, 1H), 4.94 (s, 1H), 3.91 (s, 3H), 3.22 (d, J = 18.3 Hz, 1H), 2.87 (d, J = 18.3 Hz, 1H), 1.66 (s, 3H), 1.44 (s, 3H) | null | [('d', ['7.8Hz'], '2H', 8.03, 8.03), ('brs', [], '1H', 7.64, 7.64), ('d', ['7.6Hz'], '1H', 7.59, 7.59), ('m', [], '3H', 7.43, 7.33), ('t', ['7.4Hz'], '1H', 7.21, 7.21), ('dd', ['8.2Hz', '2.6Hz'], '1H', 7.05, 7.05), ('s', [], '1H', 5.83, 5.83), ('s', [], '1H', 5.06, 5.06), ('s', [], '1H', 4.94, 4.94), ('s', [], '3H', 3.... | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3cccc(OC)c3)C[C@@]2(C)C(C)=C)ccccc1 | 25 | 25 | [0.42232671 0.08691407 0.57710612 0.16308594] | [0.09010373 0.17753907 0.90932904 0.21152344] | 13C NMR | 101 MHz | CDCl3 | 174.2, 163.4, 159.8, 149.0, 137.4, 135.9, 129.7, 129.6, 128.3, 126.6, 121.1, 117.3, 117.2, 113.2, 110.8, 55.5, 50.9, 47.0, 27.0, 19.9 | null | [(174.2, None, None), (163.4, None, None), (159.8, None, None), (149.0, None, None), (137.4, None, None), (135.9, None, None), (129.7, None, None), (129.6, None, None), (128.3, None, None), (126.6, None, None), (121.1, None, None), (117.3, None, None), (117.2, None, None), (113.2, None, None), (110.8, None, None), (55.... | 22 | 20 | 20 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3C)C[C@@]2(C)C(C)=C)ccccc1 | 25 | 25 | [0.44167414 0.45859377 0.5577587 0.53515629] | [0.08955095 0.54843752 0.90877634 0.58281253] | 1H NMR | 400 MHz | CDCl3 | 8.00 (d, J = 7.3 Hz, 2H), 7.67-7.63 (m, 1H), 7.39-7.27 (m, 5H), 7.20 (t, J = 7.4 Hz, 1H), 5.84 (s, 1H), 5.06 (s, 1H), 4.94 (t, J = 1.6 Hz, 1H), 3.29 (d, J = 18.1 Hz, 1H), 2.93 (d, J = 18.1 Hz, 1H), 2.85 (s, 3H), 1.67 (s, 3H), 1.44 (s, 3H) | null | [('d', ['7.3Hz'], '2H', 8.0, 8.0), ('m', [], '1H', 7.67, 7.63), ('m', [], '5H', 7.39, 7.27), ('t', ['7.4Hz'], '1H', 7.2, 7.2), ('s', [], '1H', 5.84, 5.84), ('s', [], '1H', 5.06, 5.06), ('t', ['1.6Hz'], '1H', 4.94, 4.94), ('d', ['18.1Hz'], '1H', 3.29, 3.29), ('d', ['18.1Hz'], '1H', 2.93, 2.93), ('s', [], '3H', 2.85, 2.8... | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3C)C[C@@]2(C)C(C)=C)ccccc1 | 25 | 25 | [0.44167414 0.45859377 0.5577587 0.53515629] | [0.08955095 0.54843752 0.90877634 0.58281253] | 13C NMR | 101 MHz | CDCl3 | 175.7, 163.8, 149.2, 139.5, 137.4, 133.5, 132.2, 130.3, 129.4, 128.3, 126.5, 125.9, 117.1, 110.7, 49.9, 49.6, 27.0, 24.0, 19.9 | null | [(175.7, None, None), (163.8, None, None), (149.2, None, None), (139.5, None, None), (137.4, None, None), (133.5, None, None), (132.2, None, None), (130.3, None, None), (129.4, None, None), (128.3, None, None), (126.5, None, None), (125.9, None, None), (117.1, None, None), (110.7, None, None), (49.9, None, None), (49.6... | 22 | 20 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc4ccccc4c3)C[C@@]2(C)C(C)=C)ccccc1 | 25 | 26 | [0.42564341 0.82968756 0.5737894 0.90781256] | [0.08955095 0.08842774 0.90988185 0.12285157] | 1H NMR | 400 MHz | CDCl3 | 8.36 (dd, J = 8.6, 1.7 Hz, 1H), 8.27 (d, J = 1.7 Hz, 1H), 8.09-8.05 (m, 2H), 7.95-7.86 (m, 3H), 7.59-7.50 (m, 2H), 7.39 (t, J = 7.7 Hz, 2H), 7.25-7.20 (m, 1H), 5.85 (s, 1H), 5.08 (d, J = 1.0 Hz, 1H), 4.95 (quint, J = 1.4 Hz, 1H), 3.36 (d, J = 18.2 Hz, 1H), 3.02 (d, J = 18.2 Hz, 1H), 1.68 (d, J = 1.2 Hz, 3H), 1.47 (s, 3... | null | [('dd', ['8.6Hz', '1.7Hz'], '1H', 8.36, 8.36), ('d', ['1.7Hz'], '1H', 8.27, 8.27), ('m', [], '2H', 8.09, 8.05), ('m', [], '3H', 7.95, 7.86), ('m', [], '2H', 7.59, 7.5), ('t', ['7.7Hz'], '2H', 7.39, 7.39), ('m', [], '1H', 7.25, 7.2), ('s', [], '1H', 5.85, 5.85), ('d', ['1.0Hz'], '1H', 5.08, 5.08), ('p', ['1.4Hz'], '1H',... | 23 | 15 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccc4ccccc4c3)C[C@@]2(C)C(C)=C)ccccc1 | 25 | 26 | [0.42564341 0.82968756 0.5737894 0.90781256] | [0.08955095 0.08842774 0.90988185 0.12285157] | 13C NMR | 101 MHz | CDCl3 | 174.3, 163.5, 149.1, 137.5, 135.0, 133.2, 132.2, 129.7, 129.2, 129.0, 128.4, 128.0, 127.7, 126.7, 126.7, 125.0, 117.3, 110.8, 50.9, 46.9, 27.1, 19.9 | null | [(174.3, None, None), (163.5, None, None), (149.1, None, None), (137.5, None, None), (135.0, None, None), (133.2, None, None), (132.2, None, None), (129.7, None, None), (129.2, None, None), (129.0, None, None), (128.4, None, None), (128.0, None, None), (127.7, None, None), (126.7, None, None), (126.7, None, None), (125... | 25 | 23 | 22 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3cccs3)C[C@]2(C)C(C)=C)ccccc1 | 26 | 26 | [0.44443806 0.38945315 0.55554758 0.46132814] | [0.08899817 0.47578129 0.90932904 0.51015626] | 1H NMR | 400 MHz | CDCl3 | 8.00-7.95 (m, 2H), 7.54 (dd, J = 5.0, 1.1 Hz, 1H), 7.47 (dd, J = 3.7, 1.1 Hz, 1H), 7.35 (t, J = 7.7 Hz, 2H), 7.21-7.16 (m, 1H), 7.13 (dd, J = 5.0, 3.7 Hz, 1H), 5.77 (s, 1H), 5.05 (d, J = 1.5 Hz, 1H), 4.93 (quint, J = 1.5 Hz, 1H), 3.21 (d, J = 18.0 Hz, 1H), 2.85 (d, J = 18.1 Hz, 1H), 1.66 (d, J = 1.2 Hz, 3H), 1.43 (s, 3... | null | [('m', [], '2H', 8.0, 7.95), ('dd', ['5.0Hz', '1.1Hz'], '1H', 7.54, 7.54), ('dd', ['3.7Hz', '1.1Hz'], '1H', 7.47, 7.47), ('t', ['7.7Hz'], '2H', 7.35, 7.35), ('m', [], '1H', 7.21, 7.16), ('dd', ['5.0Hz', '3.7Hz'], '1H', 7.13, 7.13), ('s', [], '1H', 5.77, 5.77), ('d', ['1.5Hz'], '1H', 5.05, 5.05), ('p', ['1.5Hz'], '1H', ... | 19 | 11 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3cccs3)C[C@]2(C)C(C)=C)ccccc1 | 26 | 26 | [0.44443806 0.38945315 0.55554758 0.46132814] | [0.08899817 0.47578129 0.90932904 0.51015626] | 13C NMR | 101 MHz | CDCl3 | 168.5, 163.0, 148.8, 139.9, 137.4, 131.0, 130.3, 129.6, 128.4, 128.1, 126.6, 116.6, 110.9, 51.4, 47.3, 27.0, 19.9 | null | [(168.5, None, None), (163.0, None, None), (148.8, None, None), (139.9, None, None), (137.4, None, None), (131.0, None, None), (130.3, None, None), (129.6, None, None), (128.4, None, None), (128.1, None, None), (126.6, None, None), (116.6, None, None), (110.9, None, None), (51.4, None, None), (47.3, None, None), (27.0,... | 19 | 17 | 17 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccco3)C[C@]2(C)C(C)=C)ccccc1 | 26 | 26 | [0.44443806 0.7761719 0.55610034 0.84843753] | [0.08955095 0.86328132 0.90877634 0.89765629] | 1H NMR | 400 MHz | CDCl3 | 7.96 (d, J = 7.1 Hz, 2H), 7.63 (d, J = 1.8 Hz, 1H), 7.34 (t, J = 7.6 Hz, 2H), 7.18 (t, J = 7.4 Hz, 1H), 7.08 (d, J = 3.5 Hz, 1H), 6.57 (dd, J = 3.5, 1.8 Hz, 1H), 5.79 (s, 1H), 5.04 (s, 1H), 4.93 (quint, J = 1.5 Hz, 1H), 3.16 (d, J = 18.4 Hz, 1H), 2.81 (d, J = 18.4 Hz, 1H), 1.65 (s, 3H), 1.42 (s, 3H) | null | [('d', ['7.1Hz'], '2H', 7.96, 7.96), ('d', ['1.8Hz'], '1H', 7.63, 7.63), ('t', ['7.6Hz'], '2H', 7.34, 7.34), ('t', ['7.4Hz'], '1H', 7.18, 7.18), ('d', ['3.5Hz'], '1H', 7.08, 7.08), ('dd', ['3.5Hz', '1.8Hz'], '1H', 6.57, 6.57), ('s', [], '1H', 5.79, 5.79), ('s', [], '1H', 5.04, 5.04), ('p', ['1.5Hz'], '1H', 4.93, 4.93),... | 19 | 11 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccco3)C[C@]2(C)C(C)=C)ccccc1 | 26 | 26 | [0.44443806 0.7761719 0.55610034 0.84843753] | [0.08955095 0.86328132 0.90877634 0.89765629] | 13C NMR | 101 MHz | CDCl3 | 164.4, 163.3, 150.8, 148.8, 145.7, 137.4, 129.5, 128.4, 126.6, 117.1, 114.7, 112.5, 110.9, 50.5, 46.6, 27.0, 19.9 | null | [(164.4, None, None), (163.3, None, None), (150.8, None, None), (148.8, None, None), (145.7, None, None), (137.4, None, None), (129.5, None, None), (128.4, None, None), (126.6, None, None), (117.1, None, None), (114.7, None, None), (112.5, None, None), (110.9, None, None), (50.5, None, None), (46.6, None, None), (27.0,... | 19 | 17 | 17 |
10.1002_anie.202414612 | c1(/C=C/C2=N/C(=C\c3ccccc3)[C@](C)(C(C)=C)C2)ccccc1 | 27 | 27 | [0.43725186 0.32226562 0.56218098 0.38867191] | [0.08955095 0.40234379 0.90877634 0.43515627] | 1H NMR | 400 MHz | CDCl3 | 7.93 (d, J = 7.6 Hz, 2H), 7.56 (d, J = 7.2 Hz, 2H), 7.43-7.29 (m, 6H), 7.22-7.16 (m, 1H), 7.10 (d, J = 16.4 Hz, 1H), 5.80 (s, 1H), 5.03 (s, 1H), 4.92 (br s, 1H), 3.06 (d, J = 17.9 Hz, 1H), 2.73 (d, J = 17.9 Hz, 1H), 1.65 (s, 3H), 1.41 (s, 3H) | null | [('d', ['7.6Hz'], '2H', 7.93, 7.93), ('d', ['7.2Hz'], '2H', 7.56, 7.56), ('m', [], '6H', 7.43, 7.29), ('m', [], '1H', 7.22, 7.16), ('d', ['16.4Hz'], '1H', 7.1, 7.1), ('s', [], '1H', 5.8, 5.8), ('s', [], '1H', 5.03, 5.03), ('brs', [], '1H', 4.92, 4.92), ('d', ['17.9Hz'], '1H', 3.06, 3.06), ('d', ['17.9Hz'], '1H', 2.73, ... | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(/C=C/C2=N/C(=C\c3ccccc3)[C@](C)(C(C)=C)C2)ccccc1 | 27 | 27 | [0.43725186 0.32226562 0.56218098 0.38867191] | [0.08955095 0.40234379 0.90877634 0.43515627] | 13C NMR | 101 MHz | CDCl3 | 175.0, 163.8, 149.1, 140.2, 137.4, 136.0, 129.5, 129.5, 129.1, 128.4, 127.6, 126.6, 125.6, 117.3, 110.7, 50.6, 45.8, 27.0, 19.9 | null | [(175.0, None, None), (163.8, None, None), (149.1, None, None), (140.2, None, None), (137.4, None, None), (136.0, None, None), (129.5, None, None), (129.5, None, None), (129.1, None, None), (128.4, None, None), (127.6, None, None), (126.6, None, None), (125.6, None, None), (117.3, None, None), (110.7, None, None), (50.... | 23 | 19 | 19 |
10.1002_anie.202414612 | CC(C)C1=NC(=Cc2ccccc2)[C@](C)(C(C)=C)C1 | 27 | 27 | [0.44996589 0.66328129 0.54946694 0.72734378] | [0.08955095 0.74062501 0.90877634 0.77500006] | 1H NMR | 400 MHz | CDCl3 | 7.95-7.90 (m, 2H), 7.34-7.28 (m, 2H), 7.19-7.13 (m, 1H), 5.66 (s, 1H), 4.98 (d, J = 1.6 Hz, 1H), 4.88 (t, J = 1.4 Hz, 1H), 2.87-2.76 (m, 2H), 2.42 (d, J = 18.5 Hz, 1H), 1.61 (d, J = 1.2 Hz, 3H), 1.34 (s, 3H), 1.28 (dd, J = 6.9, 1.4 Hz, 6H) | null | [('m', [], '2H', 7.95, 7.9), ('m', [], '2H', 7.34, 7.28), ('m', [], '1H', 7.19, 7.13), ('s', [], '1H', 5.66, 5.66), ('d', ['1.6Hz'], '1H', 4.98, 4.98), ('t', ['1.4Hz'], '1H', 4.88, 4.88), ('m', [], '2H', 2.87, 2.76), ('d', ['18.5Hz'], '1H', 2.42, 2.42), ('d', ['1.2Hz'], '3H', 1.61, 1.61), ('s', [], '3H', 1.34, 1.34), (... | 23 | 10 | 23 |
10.1002_anie.202414612 | CC(C)C1=NC(=Cc2ccccc2)[C@](C)(C(C)=C)C1 | 27 | 27 | [0.44996589 0.66328129 0.54946694 0.72734378] | [0.08955095 0.74062501 0.90877634 0.77500006] | 13C NMR | 101 MHz | CDCl3 | 186.8, 163.2, 149.1, 137.5, 129.3, 128.27, 126.3, 115.3, 110.4, 50.5, 47.4, 33.4, 26.82, 20.3, 20.2, 19.8 | null | [(186.8, None, None), (163.2, None, None), (149.1, None, None), (137.5, None, None), (129.3, None, None), (128.27, None, None), (126.3, None, None), (115.3, None, None), (110.4, None, None), (50.5, None, None), (47.4, None, None), (33.4, None, None), (26.82, None, None), (20.3, None, None), (20.2, None, None), (19.8, N... | 18 | 15 | 16 |
10.1002_anie.202414612 | c1(CCC2=N/C(=C\c3ccccc3)[C@](C)(C(C)=C)C2)ccccc1 | 29 | 29 | [0.43669905 0.38359378 0.56273373 0.44921879] | [0.08955095 0.46250002 0.90877634 0.52343754] | 1H NMR | 400 MHz | CDCl3 | 7.89 (d, J = 7.0 Hz, 2H), 7.35-7.14 (m, 8H), 5.66 (s, 1H), 4.96 (s, 1H), 4.87 (br s, 1H), 3.11 (t, J = 7.9 Hz, 2H), 2.85 (t, J = 7.9 Hz, 2H), 2.75 (d, J = 18.6 Hz, 1H), 2.37 (d, J = 18.6 Hz, 1H), 1.56 (s, 3H), 1.31 (s, 3H) | null | [('d', ['7.0Hz'], '2H', 7.89, 7.89), ('m', [], '8H', 7.35, 7.14), ('s', [], '1H', 5.66, 5.66), ('s', [], '1H', 4.96, 4.96), ('brs', [], '1H', 4.87, 4.87), ('t', ['7.9Hz'], '2H', 3.11, 3.11), ('t', ['7.9Hz'], '2H', 2.85, 2.85), ('d', ['18.6Hz'], '1H', 2.75, 2.75), ('d', ['18.6Hz'], '1H', 2.37, 2.37), ('s', [], '3H', 1.5... | 25 | 13 | 25 |
10.1002_anie.202414612 | c1(CCC2=N/C(=C\c3ccccc3)[C@](C)(C(C)=C)C2)ccccc1 | 29 | 29 | [0.43669905 0.38359378 0.56273373 0.44921879] | [0.08955095 0.46250002 0.90877634 0.52343754] | 13C NMR | 101 MHz | CDCl3 | 181.6, 163.1, 148.9, 141.5, 137.4, 129.3, 128.6, 128.5, 128.3, 126.4, 126.3, 115.5, 110.6, 50.7, 50.4, 36.2, 32.7, 26.9, 19.8 | null | [(181.6, None, None), (163.1, None, None), (148.9, None, None), (141.5, None, None), (137.4, None, None), (129.3, None, None), (128.6, None, None), (128.5, None, None), (128.3, None, None), (126.4, None, None), (126.3, None, None), (115.5, None, None), (110.6, None, None), (50.7, None, None), (50.4, None, None), (36.2,... | 23 | 19 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(Cc2ccccc2)C(C)=C)ccccc1 | 30 | 30 | [0.45328256 0.27617189 0.54504466 0.34179691] | [0.08955095 0.35546879 0.90822354 0.38984376] | 13C NMR | 101 MHz | CDCl3 | 174.9, 161.5, 148.7, 137.8, 137.4, 134.2, 131.1, 130.4, 129.8, 128.5, 128.4, 128.1, 128.0, 126.7, 126.5, 118.4, 111.2, 55.3, 44.2, 42.9, 20.5 | null | [(174.9, None, None), (161.5, None, None), (148.7, None, None), (137.8, None, None), (137.4, None, None), (134.2, None, None), (131.1, None, None), (130.4, None, None), (129.8, None, None), (128.5, None, None), (128.4, None, None), (128.1, None, None), (128.0, None, None), (126.7, None, None), (126.5, None, None), (118... | 27 | 21 | 21 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(CCOCc2ccccc2)C(=C)C)ccccc1 | 30 | 30 | [0.43504074 0.63710939 0.56383934 0.70195315] | [0.08955095 0.71640631 0.90822354 0.77578126] | 1H NMR | 400 MHz | CDCl3 | 8.05-7.99 (m, 4H), 7.53-7.43 (m, 3H), 7.37 (t, J = 7.6 Hz, 2H), 7.25-7.18 (m, 4H), 7.17-7.12 (m, 2H), 5.80 (s, 1H), 5.03 (s, 1H), 4.92 (s, 1H), 4.32 (d, J = 11.5 Hz, 1H), 4.26 (d, J = 11.5 Hz, 1H), 3.51 (td, J = 8.4, 5.2 Hz, 1H), 3.43-3.37 (m, 1H), 3.25 (d, J = 18.6 Hz, 1H), 3.10 (d, J = 18.5 Hz, 1H), 2.31 (dt, J = 14.... | null | [('m', [], '4H', 8.05, 7.99), ('m', [], '3H', 7.53, 7.43), ('t', ['7.6Hz'], '2H', 7.37, 7.37), ('m', [], '4H', 7.25, 7.18), ('m', [], '2H', 7.17, 7.12), ('s', [], '1H', 5.8, 5.8), ('s', [], '1H', 5.03, 5.03), ('s', [], '1H', 4.92, 4.92), ('d', ['11.5Hz'], '1H', 4.32, 4.32), ('d', ['11.5Hz'], '1H', 4.26, 4.26), ('td', [... | 29 | 16 | 29 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(CCOCc2ccccc2)C(=C)C)ccccc1 | 30 | 30 | [0.43504074 0.63710939 0.56383934 0.70195315] | [0.08955095 0.71640631 0.90822354 0.77578126] | 13C NMR | 101 MHz | CDCl3 | 175.2, 161.1, 148.7, 138.3, 137.3, 134.3, 131.4, 129.7, 128.7, 128.5, 128.4, 128.4, 127.8, 127.6, 126.7, 117.8, 110.7, 73.4, 68.2, 53.2, 44.3, 38.2, 19.9 | null | [(175.2, None, None), (161.1, None, None), (148.7, None, None), (138.3, None, None), (137.3, None, None), (134.3, None, None), (131.4, None, None), (129.7, None, None), (128.7, None, None), (128.5, None, None), (128.4, None, None), (128.4, None, None), (127.8, None, None), (127.6, None, None), (126.7, None, None), (117... | 29 | 23 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(c2ccccc2)C(C)=C)ccccc1 | 31 | 31 | [0.45438817 0.56484376 0.54615022 0.62968753] | [0.08844538 0.64453125 0.90877634 0.67812501] | 1H NMR | 400 MHz | CDCl3 | 8.11-8.02 (m, 4H), 7.50-7.36 (m, 7H), 7.32 (t, J = 7.6 Hz, 2H), 7.25-7.19 (m, 2H), 5.94 (s, 1H), 5.12-5.09 (m, 1H), 4.83 (s, 1H), 3.71 (d, J = 18.2 Hz, 1H), 3.55 (d, J = 18.2 Hz, 1H), 1.87 (s, 3H) | null | [('m', [], '4H', 8.11, 8.02), ('m', [], '7H', 7.5, 7.36), ('t', ['7.6Hz'], '2H', 7.32, 7.32), ('m', [], '2H', 7.25, 7.19), ('s', [], '1H', 5.94, 5.94), ('m', [], '1H', 5.12, 5.09), ('s', [], '1H', 4.83, 4.83), ('d', ['18.2Hz'], '1H', 3.71, 3.71), ('d', ['18.2Hz'], '1H', 3.55, 3.55), ('s', [], '3H', 1.87, 1.87)] | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(c2ccccc2)C(C)=C)ccccc1 | 31 | 31 | [0.45438817 0.56484376 0.54615022 0.62968753] | [0.08844538 0.64453125 0.90877634 0.67812501] | 13C NMR | 101 MHz | CDCl3 | 173.5, 159.8, 147.9, 145.3, 137.2, 134.3, 131.4, 130.0, 128.7, 128.4, 128.3, 128.2, 126.9, 126.5, 121.6, 115.5, 62.2, 48.1, 21.1 | null | [(173.5, None, None), (159.8, None, None), (147.9, None, None), (145.3, None, None), (137.2, None, None), (134.3, None, None), (131.4, None, None), (130.0, None, None), (128.7, None, None), (128.4, None, None), (128.3, None, None), (128.2, None, None), (126.9, None, None), (126.5, None, None), (121.6, None, None), (115... | 26 | 20 | 19 |
10.1002_anie.202414612 | CCCC([C@@]1(C)C(=Cc2ccccc2)N=C(c2ccccc2)C1)=CCC | 32 | 32 | [0.44554361 0.08779297 0.55388922 0.15263673] | [0.08844538 0.16679689 0.90988185 0.43671876] | 1H NMR | 400 MHz | CDCl3 | 8.07-7.98 (m, 4H), 7.50-7.45 (m, 3H), 7.39-7.33 (m, 2H), 7.23-7.17 (m, 1H), 5.78 (s, 1H), 5.45 (t, J = 7.1 Hz, 1H), 3.21 (d, J = 18.3 Hz, 1H), 2.86 (d, J = 18.3 Hz, 1H), 2.10 (pd, J = 7.4, 3.1 Hz, 2H), 1.92 (ddd, J = 13.8, 11.7, 5.3 Hz, 1H), 1.80 (ddd, J = 13.8, 11.5, 5.0 Hz, 1H), 1.55-1.39 (m, 2H), 1.39 (s, 3H), 1.04 ... | null | [('m', [], '4H', 8.07, 7.98), ('m', [], '3H', 7.5, 7.45), ('m', [], '2H', 7.39, 7.33), ('m', [], '1H', 7.23, 7.17), ('s', [], '1H', 5.78, 5.78), ('t', ['7.1Hz'], '1H', 5.45, 5.45), ('d', ['18.3Hz'], '1H', 3.21, 3.21), ('d', ['18.3Hz'], '1H', 2.86, 2.86), ('pd', ['7.4Hz', '3.1Hz'], '2H', 2.1, 2.1), ('ddd', ['13.8Hz', '1... | 29 | 15 | 29 |
10.1002_anie.202414612 | CCCC([C@@]1(C)C(=Cc2ccccc2)N=C(c2ccccc2)C1)=CCC | 32 | 32 | [0.44554361 0.08779297 0.55388922 0.15263673] | [0.08844538 0.16679689 0.90988185 0.43671876] | 13C NMR | 101 MHz | CDCl3 | 174.6, 164.2, 142.3, 137.6, 134.7, 131.2, 129.6, 128.7, 128.4, 128.3, 127.4, 126.4, 117.6, 51.7, 47.5, 32.3, 27.5, 23.8, 21.8, 15.1, 14.8 | null | [(174.6, None, None), (164.2, None, None), (142.3, None, None), (137.6, None, None), (134.7, None, None), (131.2, None, None), (129.6, None, None), (128.7, None, None), (128.4, None, None), (128.3, None, None), (127.4, None, None), (126.4, None, None), (117.6, None, None), (51.7, None, None), (47.5, None, None), (32.3,... | 25 | 21 | 21 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]23CCCC=C3C)ccccc1 | 32 | 32 | [0.44996589 0.47343753 0.54836139 0.53125004] | [0.08899817 0.54531251 0.91154026 0.7683594 ] | 1H NMR | 400 MHz | CDCl3 | 8.08-8.00 (m, 4H), 7.52-7.42 (m, 3H), 7.36 (t, J = 7.6 Hz, 2H), 7.24-7.16 (m, 1H), 5.85 (s, 1H), 5.68-5.63 (m, 1H), 3.14 (d, J = 18.2 Hz, 1H), 2.95 (d, J = 18.2 Hz, 1H), 2.20-2.03 (m, 2H), 1.85-1.76 (m, 3H), 1.66-1.50 (m, 4H) | null | [('m', [], '4H', 8.08, 8.0), ('m', [], '3H', 7.52, 7.42), ('t', ['7.6Hz'], '2H', 7.36, 7.36), ('m', [], '1H', 7.24, 7.16), ('s', [], '1H', 5.85, 5.85), ('m', [], '1H', 5.68, 5.63), ('d', ['18.2Hz'], '1H', 3.14, 3.14), ('d', ['18.2Hz'], '1H', 2.95, 2.95), ('m', [], '2H', 2.2, 2.03), ('m', [], '3H', 1.85, 1.76), ('m', []... | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]23CCCC=C3C)ccccc1 | 32 | 32 | [0.44996589 0.47343753 0.54836139 0.53125004] | [0.08899817 0.54531251 0.91154026 0.7683594 ] | 13C NMR | 101 MHz | CDCl3 | 174.8, 163.5, 137.6, 136.2, 134.6, 131.3, 129.6, 128.7, 128.3, 126.5, 125.2, 117.5, 50.6, 46.8, 38.9, 25.6, 19.7, 19.7 | null | [(174.8, None, None), (163.5, None, None), (137.6, None, None), (136.2, None, None), (134.6, None, None), (131.3, None, None), (129.6, None, None), (128.7, None, None), (128.3, None, None), (126.5, None, None), (125.2, None, None), (117.5, None, None), (50.6, None, None), (46.8, None, None), (38.9, None, None), (25.6, ... | 23 | 19 | 18 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@H]2C(C)=C)ccccc1 | 32 | 33 | [0.45272981 0.80546878 0.54670302 0.87109382] | [0.08955095 0.08857423 0.90932904 0.12294922] | 1H NMR | 400 MHz | CDCl3 | 8.07-8.00 (m, 4H), 7.51-7.45 (m, 3H), 7.40-7.34 (m, 2H), 7.24-7.19 (m, 1H), 6.00 (s, 1H), 4.98 (d, J = 2.2 Hz, 1H), 4.88 (p, J = 1.5 Hz, 1H), 3.83 (ddd, J = 9.4, 4.7, 1.9 Hz, 1H), 3.26 (dd, J = 18.2, 9.4 Hz, 1H), 2.96 (dd, J = 18.2, 4.6 Hz, 1H), 1.64 (s, 3H) | null | [('m', [], '4H', 8.07, 8.0), ('m', [], '3H', 7.51, 7.45), ('m', [], '2H', 7.4, 7.34), ('m', [], '1H', 7.24, 7.19), ('s', [], '1H', 6.0, 6.0), ('d', ['2.2Hz'], '1H', 4.98, 4.98), ('p', ['1.5Hz'], '1H', 4.88, 4.88), ('ddd', ['9.4Hz', '4.7Hz', '1.9Hz'], '1H', 3.83, 3.83), ('dd', ['18.2Hz', '9.4Hz'], '1H', 3.26, 3.26), ('d... | 19 | 11 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@H]2C(C)=C)ccccc1 | 32 | 33 | [0.45272981 0.80546878 0.54670302 0.87109382] | [0.08955095 0.08857423 0.90932904 0.12294922] | 13C NMR | 101 MHz | CDCl3 | 176.1, 158.8, 145.9, 137.4, 134.4, 131.4, 129.6, 128.7, 128.4, 128.4, 126.6, 118.0, 113.2, 50.3, 38.4, 17.9 | null | [(176.1, None, None), (158.8, None, None), (145.9, None, None), (137.4, None, None), (134.4, None, None), (131.4, None, None), (129.6, None, None), (128.7, None, None), (128.4, None, None), (128.4, None, None), (126.6, None, None), (118.0, None, None), (113.2, None, None), (50.3, None, None), (38.4, None, None), (17.9,... | 20 | 16 | 16 |
10.1002_anie.202414612 | CC(=C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1ccc(Br)cc1 | 35 | 35 | [0.44720197 0.31796877 0.5511253 0.41328126] | [0.08955095 0.42578129 0.90877634 0.48671876] | 1H NMR | 400 MHz | CDCl3 | 8.07-8.00 (m, 2H), 7.96-7.89 (m, 2H), 7.54-7.44 (m, 5H), 5.76 (s, 1H), 5.06 (d, J = 1.5 Hz, 1H), 4.95 (br s, 1H), 3.23 (d, J = 18.4 Hz, 1H), 2.89 (d, J = 18.4 Hz, 1H), 1.65 (s, 3H), 1.43 (s, 3H) | null | [('m', [], '2H', 8.07, 8.0), ('m', [], '2H', 7.96, 7.89), ('m', [], '5H', 7.54, 7.44), ('s', [], '1H', 5.76, 5.76), ('d', ['1.5Hz'], '1H', 5.06, 5.06), ('brs', [], '1H', 4.95, 4.95), ('d', ['18.4Hz'], '1H', 3.23, 3.23), ('d', ['18.4Hz'], '1H', 2.89, 2.89), ('s', [], '3H', 1.65, 1.65), ('s', [], '3H', 1.43, 1.43)] | 20 | 10 | 20 |
10.1002_anie.202414612 | CC(=C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1ccc(Br)cc1 | 35 | 35 | [0.44720197 0.31796877 0.5511253 0.41328126] | [0.08955095 0.42578129 0.90877634 0.48671876] | 13C NMR | 101 MHz | CDCl3 | 175.0, 164.2, 148.7, 136.4, 134.3, 131.6, 131.4, 131.1, 128.8, 128.4, 120.3, 115.8, 110.9, 50.9, 46.9, 26.9, 19.9 | null | [(175.0, None, None), (164.2, None, None), (148.7, None, None), (136.4, None, None), (134.3, None, None), (131.6, None, None), (131.4, None, None), (131.1, None, None), (128.8, None, None), (128.4, None, None), (120.3, None, None), (115.8, None, None), (110.9, None, None), (50.9, None, None), (46.9, None, None), (26.9,... | 21 | 17 | 17 |
10.1002_anie.202414612 | c1(C2=N/C(=C\c3ccc(OC)cc3)[C@](C)(C(=C)C)C2)ccccc1 | 35 | 35 | [0.44167414 0.70781253 0.5577587 0.80312501] | [0.08899817 0.81718753 0.90932904 0.87031254] | 1H NMR | 400 MHz | CDCl3 | 8.08-7.95 (m, 4H), 7.52-7.44 (m, 3H), 6.97-6.89 (m, 2H), 5.77 (s, 1H), 5.05 (brs, 1H), 4.93 (apparent p, J = 1.4 Hz, 1H), 3.84 (s, 3H), 3.22 (d, J = 18.3 Hz, 1H), 2.87 (d, J = 18.3 Hz, 1H), 1.66 (d, J = 0.8 Hz, 3H), 1.43 (s, 3H) | null | [('m', [], '4H', 8.08, 7.95), ('m', [], '3H', 7.52, 7.44), ('m', [], '2H', 6.97, 6.89), ('s', [], '1H', 5.77, 5.77), ('brs', [], '1H', 5.05, 5.05), ('app p', ['1.4Hz'], '1H', 4.93, 4.93), ('s', [], '3H', 3.84, 3.84), ('d', ['18.3Hz'], '1H', 3.22, 3.22), ('d', ['18.3Hz'], '1H', 2.87, 2.87), ('d', ['0.8Hz'], '3H', 1.66, ... | 23 | 11 | 23 |
10.1002_anie.202414612 | c1(C2=N/C(=C\c3ccc(OC)cc3)[C@](C)(C(=C)C)C2)ccccc1 | 35 | 35 | [0.44167414 0.70781253 0.5577587 0.80312501] | [0.08899817 0.81718753 0.90932904 0.87031254] | 13C NMR | 101 MHz | CDCl3 | 173.2, 161.5, 158.5, 149.2, 134.6, 131.1, 130.9, 130.5, 128.7, 128.3, 116.6, 113.8, 110.6, 55.4, 50.7, 46.9, 27.1, 19.9 | null | [(173.2, None, None), (161.5, None, None), (158.5, None, None), (149.2, None, None), (134.6, None, None), (131.1, None, None), (130.9, None, None), (130.5, None, None), (128.7, None, None), (128.3, None, None), (116.6, None, None), (113.8, None, None), (110.6, None, None), (55.4, None, None), (50.7, None, None), (46.9,... | 22 | 18 | 18 |
10.1002_anie.202414612 | C=C(C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 | 36 | 36 | [0.4433325 0.31640625 0.55388922 0.41210941] | [0.08955095 0.42656253 0.90988185 0.48046879] | 1H NMR | 400 MHz | CDCl3 | 8.14 (d, J = 8.1 Hz, 2H), 8.09-8.02 (m, 2H), 7.61 (d, J = 8.2 Hz, 2H), 7.57-7.45 (m, 3H), 5.85 (s, 1H), 5.08 (br s, 1H), 4.97 (br s, 1H), 3.26 (d, J = 18.4 Hz, 1H), 2.92 (d, J = 18.5 Hz, 1H), 1.66 (s, 3H), 1.45 (s, 3H) | null | [('d', ['8.1Hz'], '2H', 8.14, 8.14), ('m', [], '2H', 8.09, 8.02), ('d', ['8.2Hz'], '2H', 7.61, 7.61), ('m', [], '3H', 7.57, 7.45), ('s', [], '1H', 5.85, 5.85), ('brs', [], '1H', 5.08, 5.08), ('brs', [], '1H', 4.97, 4.97), ('d', ['18.4Hz'], '1H', 3.26, 3.26), ('d', ['18.5Hz'], '1H', 2.92, 2.92), ('s', [], '3H', 1.66, 1.... | 20 | 10 | 20 |
10.1002_anie.202414612 | C=C(C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 | 36 | 36 | [0.4433325 0.31640625 0.55388922 0.41210941] | [0.08955095 0.42656253 0.90988185 0.48046879] | 13C NMR | 101 MHz | CDCl3 | 176.1, 165.9, 148.6, 141.0, 134.2, 131.8, 129.6, 128.8, 128.5, 128.0 (q, J = 32.8 Hz), 125.2 (q, J = 3.9 Hz), 124.6 (q, J = 271.5 Hz), 115.6, 111.1, 51.0, 47.0, 27.0, 19.9 | null | [(176.1, None, None), (165.9, None, None), (148.6, None, None), (141.0, None, None), (134.2, None, None), (131.8, None, None), (129.6, None, None), (128.8, None, None), (128.5, None, None), (128.0, 'q', 32.8), (125.2, 'q', 3.9), (124.6, 'q', 271.5), (115.6, None, None), (111.1, None, None), (51.0, None, None), (47.0, N... | 22 | 18 | 18 |
10.1002_anie.202414612 | C=C(C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 | 36 | 36 | [0.4433325 0.31640625 0.55388922 0.41210941] | [0.08955095 0.42656253 0.90988185 0.48046879] | 19F NMR | 377 MHz | CDCl3 | -62.3 | null | [(-62.3, None, None)] | 3 | 1 | 1 |
10.1002_anie.202414612 | CC(=C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1 | 37 | 37 | [0.45272981 0.3681641 0.54559747 0.46953128] | [0.08955095 0.48515628 0.90877634 0.54453127] | 1H NMR | 400 MHz | CDCl3 | 8.16 (t, J = 2.0 Hz, 1H), 8.07-8.02 (m, 2H), 7.84 (dt, J = 7.9, 1.4 Hz, 1H), 7.53-7.47 (m, 3H), 7.28 (t, J = 8.0 Hz, 1H), 7.18 (ddd, J = 7.9, 2.2, 1.0 Hz, 1H), 5.76 (s, 1H), 5.06 (br s, 1H), 4.96-4.94 (m, 1H), 3.24 (d, J = 18.4 Hz, 1H), 2.90 (d, J = 18.4 Hz, 1H), 1.65 (s, 3H), 1.43 (s, 3H) | null | [('t', ['2.0Hz'], '1H', 8.16, 8.16), ('m', [], '2H', 8.07, 8.02), ('dt', ['7.9Hz', '1.4Hz'], '1H', 7.84, 7.84), ('m', [], '3H', 7.53, 7.47), ('t', ['8.0Hz'], '1H', 7.28, 7.28), ('ddd', ['7.9Hz', '2.2Hz', '1.0Hz'], '1H', 7.18, 7.18), ('s', [], '1H', 5.76, 5.76), ('brs', [], '1H', 5.06, 5.06), ('m', [], '1H', 4.96, 4.94)... | 20 | 12 | 20 |
10.1002_anie.202414612 | CC(=C)[C@@]1(C)CC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1 | 37 | 37 | [0.45272981 0.3681641 0.54559747 0.46953128] | [0.08955095 0.48515628 0.90877634 0.54453127] | 13C NMR | 101 MHz | CDCl3 | 175.4, 164.8, 148.7, 139.3, 134.2, 134.2, 131.7, 129.5, 129.4, 128.8, 128.5, 127.6, 126.4, 115.6, 111.0, 50.9, 46.9, 27.0, 19.9 | null | [(175.4, None, None), (164.8, None, None), (148.7, None, None), (139.3, None, None), (134.2, None, None), (134.2, None, None), (131.7, None, None), (129.5, None, None), (129.4, None, None), (128.8, None, None), (128.5, None, None), (127.6, None, None), (126.4, None, None), (115.6, None, None), (111.0, None, None), (50.... | 21 | 19 | 19 |
10.1002_anie.202414612 | c1(C2=N/C(=C\c3ccccc3C)[C@](C)(C(C)=C)C2)ccccc1 | 37 | 37 | [0.45328256 0.76523443 0.54559747 0.85000001] | [0.09010373 0.86406253 0.90932904 0.89843757] | 1H NMR | 400 MHz | CDCl3 | 8.40 (d, J = 7.7 Hz, 1H), 8.05-8.00 (m, 2H), 7.51-7.43 (m, 3H), 7.29 (td, J = 7.8, 7.2, 2.3 Hz, 1H), 7.20-7.12 (m, 2H), 6.06 (s, 1H), 5.09 (br s, 1H), 4.98-4.95 (m, 1H), 3.26 (d, J = 18.3, 1H), 2.92 (d, J = 18.3 Hz, 1H), 2.38 (s, 3H), 1.71 (d, J = 1.3 Hz, 3H), 1.47 (s, 3H) | null | [('d', ['7.7Hz'], '1H', 8.4, 8.4), ('m', [], '2H', 8.05, 8.0), ('m', [], '3H', 7.51, 7.43), ('td', ['7.8Hz', '7.2Hz', '2.3Hz'], '1H', 7.29, 7.29), ('m', [], '2H', 7.2, 7.12), ('s', [], '1H', 6.06, 6.06), ('brs', [], '1H', 5.09, 5.09), ('m', [], '1H', 4.98, 4.95), ('d', "['18.3Hz']", '1H', 3.26, 3.26), ('d', ['18.3Hz'],... | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(C2=N/C(=C\c3ccccc3C)[C@](C)(C(C)=C)C2)ccccc1 | 37 | 37 | [0.45328256 0.76523443 0.54559747 0.85000001] | [0.09010373 0.86406253 0.90932904 0.89843757] | 13C NMR | 101 MHz | CDCl3 | 174.4, 163.4, 149.2, 136.0, 135.8, 134.5, 131.3, 130.6, 129.9, 128.7, 128.4, 126.7, 125.8, 114.7, 110.7, 50.7, 47.1, 27.3, 20.4, 19.9 | null | [(174.4, None, None), (163.4, None, None), (149.2, None, None), (136.0, None, None), (135.8, None, None), (134.5, None, None), (131.3, None, None), (130.6, None, None), (129.9, None, None), (128.7, None, None), (128.4, None, None), (126.7, None, None), (125.8, None, None), (114.7, None, None), (110.7, None, None), (50.... | 22 | 20 | 20 |
10.1002_anie.202414612 | c1(C2=N/C(=C\c3ccsc3)[C@](C)(C(C)=C)C2)ccccc1 | 38 | 38 | [0.45272981 0.34414064 0.54504466 0.42578129] | [0.08899817 0.43945316 0.90877634 0.49921879] | 1H NMR | 400 MHz | CDCl3 | 8.06-8.01 (m, 2H), 7.85 (dd, J = 5.0, 1.2 Hz, 1H), 7.71 (d, J = 3.0 Hz, 1H), 7.51-7.45 (m, 3H), 7.31 (dd, J = 5.0, 3.0 Hz, 1H), 5.92 (s, 1H), 5.05 (brs, 1H), 4.95-4.93 (m, 1H), 3.25 (d, J = 18.3 Hz, 1H), 2.90 (d, J = 18.3 Hz, 1H), 1.67 (d, J = 1.2 Hz, 3H), 1.43 (s, 3H) | null | [('m', [], '2H', 8.06, 8.01), ('dd', ['5.0Hz', '1.2Hz'], '1H', 7.85, 7.85), ('d', ['3.0Hz'], '1H', 7.71, 7.71), ('m', [], '3H', 7.51, 7.45), ('dd', ['5.0Hz', '3.0Hz'], '1H', 7.31, 7.31), ('s', [], '1H', 5.92, 5.92), ('brs', [], '1H', 5.05, 5.05), ('m', [], '1H', 4.95, 4.93), ('d', ['18.3Hz'], '1H', 3.25, 3.25), ('d', [... | 19 | 11 | 19 |
10.1002_anie.202414612 | c1(C2=N/C(=C\c3ccsc3)[C@](C)(C(C)=C)C2)ccccc1 | 38 | 38 | [0.45272981 0.34414064 0.54504466 0.42578129] | [0.08899817 0.43945316 0.90877634 0.49921879] | 13C NMR | 101 MHz | CDCl3 | 173.4, 162.3, 149.0, 138.9, 134.5, 131.3, 129.4, 128.7, 128.3, 124.9, 123.4, 111.6, 110.7, 50.3, 47.2, 27.0, 19.9 | null | [(173.4, None, None), (162.3, None, None), (149.0, None, None), (138.9, None, None), (134.5, None, None), (131.3, None, None), (129.4, None, None), (128.7, None, None), (128.3, None, None), (124.9, None, None), (123.4, None, None), (111.6, None, None), (110.7, None, None), (50.3, None, None), (47.2, None, None), (27.0,... | 19 | 17 | 17 |
10.1002_anie.202414612 | CC(=C)[C@]1(C)CC(c2ccccc2)=N/C1=C\C(C)(C)OCc1ccccc1 | 39 | 39 | [0.45272981 0.72265632 0.54670302 0.80078132] | [0.08899817 0.81562504 0.90932904 0.86875006] | 1H NMR | 400 MHz | CDCl3 | 7.99-7.94 (m, 2H), 7.49-7.42 (m, 3H), 7.40-7.36 (m, 2H), 7.34-7.29 (m, 2H), 7.26-7.21 (m, 1H), 5.14 (s, 1H), 4.98 (d, J = 1.5 Hz, 1H), 4.87 (p, J = 1.4 Hz, 1H), 4.52 (s, 2H), 3.13 (d, J = 18.2 Hz, 1H), 2.79 (d, J = 18.2 Hz, 1H), 1.72 (s, 3H), 1.69 (s, 3H), 1.62 (d, J = 1.3 Hz, 3H), 1.34 (s, 3H) | null | [('m', [], '2H', 7.99, 7.94), ('m', [], '3H', 7.49, 7.42), ('m', [], '2H', 7.4, 7.36), ('m', [], '2H', 7.34, 7.29), ('m', [], '1H', 7.26, 7.21), ('s', [], '1H', 5.14, 5.14), ('d', ['1.5Hz'], '1H', 4.98, 4.98), ('p', ['1.4Hz'], '1H', 4.87, 4.87), ('s', [], '2H', 4.52, 4.52), ('d', ['18.2Hz'], '1H', 3.13, 3.13), ('d', ['... | 29 | 13 | 29 |
10.1002_anie.202414612 | CC(=C)[C@]1(C)CC(c2ccccc2)=N/C1=C\C(C)(C)OCc1ccccc1 | 39 | 39 | [0.45272981 0.72265632 0.54670302 0.80078132] | [0.08899817 0.81562504 0.90932904 0.86875006] | 13C NMR | 101 MHz | CDCl3 | 172.5, 162.9, 149.1, 140.3, 134.6, 131.1, 128.7, 128.4, 128.2, 127.7, 127.2, 124.0, 110.5, 77.1, 65.5, 50.2, 46.9, 28.4, 28.3, 27.3, 19.8 | null | [(172.5, None, None), (162.9, None, None), (149.1, None, None), (140.3, None, None), (134.6, None, None), (131.1, None, None), (128.7, None, None), (128.4, None, None), (128.2, None, None), (127.7, None, None), (127.2, None, None), (124.0, None, None), (110.5, None, None), (77.1, None, None), (65.5, None, None), (50.2,... | 25 | 20 | 21 |
10.1002_anie.202414612 | c1(C2=N/C(=C\C3=CCCCC3)[C@](C)(C(C)=C)C2)ccccc1 | 40 | 40 | [0.45217701 0.33750002 0.54615022 0.42265628] | [0.09010373 0.43593751 0.90932904 0.49531254] | 1H NMR | 400 MHz | CDCl3 | 7.95-7.89 (m, 2H), 7.45-7.40 (m, 3H), 5.93 (t, J = 4.3 Hz, 1H), 5.40 (s, 1H), 4.96 (s, 1H), 4.86 (br s, 1H), 3.12 (d, J = 18.2 Hz, 1H), 2.81-2.72 (m, 3H), 2.24-2.15 (m, 2H), 1.77-1.68 (m, 2H), 1.67-1.58 (m, 5H), 1.33 (brs, 3H) | null | [('m', [], '2H', 7.95, 7.89), ('m', [], '3H', 7.45, 7.4), ('t', ['4.3Hz'], '1H', 5.93, 5.93), ('s', [], '1H', 5.4, 5.4), ('s', [], '1H', 4.96, 4.96), ('brs', [], '1H', 4.86, 4.86), ('d', ['18.2Hz'], '1H', 3.12, 3.12), ('m', [], '3H', 2.81, 2.72), ('m', [], '2H', 2.24, 2.15), ('m', [], '2H', 1.77, 1.68), ('m', [], '5H',... | 25 | 13 | 25 |
10.1002_anie.202414612 | c1(C2=N/C(=C\C3=CCCCC3)[C@](C)(C(C)=C)C2)ccccc1 | 40 | 40 | [0.45217701 0.33750002 0.54615022 0.42265628] | [0.09010373 0.43593751 0.90932904 0.49531254] | 13C NMR | 101 MHz | CDCl3 | 171.0, 160.4, 149.5, 137.3, 134.9, 130.7, 129.4, 128.6, 128.0, 121.0, 110.2, 50.6, 46.6, 28.9, 27.1, 26.5, 23.3, 22.5, 19.9 | null | [(171.0, None, None), (160.4, None, None), (149.5, None, None), (137.3, None, None), (134.9, None, None), (130.7, None, None), (129.4, None, None), (128.6, None, None), (128.0, None, None), (121.0, None, None), (110.2, None, None), (50.6, None, None), (46.6, None, None), (28.9, None, None), (27.1, None, None), (26.5, N... | 21 | 19 | 19 |
10.1002_anie.202414612 | CC(C)[Si](C(C)C)(C(C)C)C=C1N=C(c2ccccc2)C[C@@]1(C)C(C)=C | 40 | 40 | [0.45217701 0.71640631 0.54504466 0.78203128] | [0.08844538 0.79648443 0.90932904 0.85625003] | 1H NMR | 400 MHz | CDCl3 | 7.95-7.90 (m, 2H), 7.48-7.41 (m, 3H), 5.05 (s, 1H), 4.99 (d, J = 1.6 Hz, 1H), 4.91-4.87 (m, 1H), 3.16 (d, J = 18.1 Hz, 1H), 2.83 (d, J = 18.1 Hz, 1H), 1.62 (d, J = 1.2 Hz, 3H), 1.42-1.29 (m, 6H), 1.09 (d, J = 7.5 Hz, 9H), 1.09 (d, J = 7.5 Hz, 9H) | null | [('m', [], '2H', 7.95, 7.9), ('m', [], '3H', 7.48, 7.41), ('s', [], '1H', 5.05, 5.05), ('d', ['1.6Hz'], '1H', 4.99, 4.99), ('m', [], '1H', 4.91, 4.87), ('d', ['18.1Hz'], '1H', 3.16, 3.16), ('d', ['18.1Hz'], '1H', 2.83, 2.83), ('d', ['1.2Hz'], '3H', 1.62, 1.62), ('m', [], '6H', 1.42, 1.29), ('d', ['7.5Hz'], '9H', 1.09, ... | 37 | 10 | 37 |
10.1002_anie.202414612 | CC(C)[Si](C(C)C)(C(C)C)C=C1N=C(c2ccccc2)C[C@@]1(C)C(C)=C | 40 | 40 | [0.45217701 0.71640631 0.54504466 0.78203128] | [0.08844538 0.79648443 0.90932904 0.85625003] | 13C NMR | 101 MHz | CDCl3 | 178.5, 173.4, 149.3, 134.9, 131.0, 128.7, 128.1, 111.9, 110.3, 51.2, 47.5, 27.4, 19.9, 19.2, 12.3 | null | [(178.5, None, None), (173.4, None, None), (149.3, None, None), (134.9, None, None), (131.0, None, None), (128.7, None, None), (128.1, None, None), (111.9, None, None), (110.3, None, None), (51.2, None, None), (47.5, None, None), (27.4, None, None), (19.9, None, None), (19.2, None, None), (12.3, None, None)] | 24 | 15 | 15 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]2(C)C=C)ccccc1 | 41 | 41 | [0.45272981 0.63828131 0.54615022 0.69609378] | [0.09010373 0.71015629 0.90877634 0.74453126] | 1H NMR | 400 MHz | CDCl3 | 8.05-7.99 (m, 4H), 7.50-7.43 (m, 3H), 7.39-7.32 (m, 2H), 7.20 (td, J = 7.3, 1.3 Hz, 1H), 6.00 (dd, J = 17.3, 10.5 Hz, 1H), 5.88 (s, 1H), 5.20 (dd, J = 17.3, 1.1 Hz, 1H), 5.11 (dd, J = 10.4, 1.1 Hz, 1H), 3.15 (d, J = 17.9 Hz, 1H), 2.98 (d, J = 17.9 Hz, 1H), 1.41 (s, 3H) | null | [('m', [], '4H', 8.05, 7.99), ('m', [], '3H', 7.5, 7.43), ('m', [], '2H', 7.39, 7.32), ('td', ['7.3Hz', '1.3Hz'], '1H', 7.2, 7.2), ('dd', ['17.3Hz', '10.5Hz'], '1H', 6.0, 6.0), ('s', [], '1H', 5.88, 5.88), ('dd', ['17.3Hz', '1.1Hz'], '1H', 5.2, 5.2), ('dd', ['10.4Hz', '1.1Hz'], '1H', 5.11, 5.11), ('d', ['17.9Hz'], '1H'... | 19 | 11 | 19 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]2(C)C=C)ccccc1 | 41 | 41 | [0.45272981 0.63828131 0.54615022 0.69609378] | [0.09010373 0.71015629 0.90877634 0.74453126] | 13C NMR | 101 MHz | CDCl3 | 174.2, 163.2, 144.5, 137.3, 134.5, 131.4, 129.6, 128.7, 128.4, 126.7, 117.7, 112.0, 48.4, 48.2, 25.9 | null | [(174.2, None, None), (163.2, None, None), (144.5, None, None), (137.3, None, None), (134.5, None, None), (131.4, None, None), (129.6, None, None), (128.7, None, None), (128.4, None, None), (126.7, None, None), (117.7, None, None), (112.0, None, None), (48.4, None, None), (48.2, None, None), (25.9, None, None)] | 20 | 16 | 15 |
10.1002_anie.202414612 | C[C@]1(C(C)=CC)C(=Cc2ccccc2)N=C(c2ccccc2)C1 | 42 | 42 | [0.44222689 0.18437501 0.55720589 0.2496094 ] | [0.08955095 0.26367189 0.90877634 0.29804688] | 1H NMR | 400 MHz | CDCl3 | 8.07-8.00 (m, 4H), 7.50-7.45 (m, 3H), 7.39-7.32 (m, 2H), 7.22-7.17 (m, 1H), 5.75 (s, 1H), 5.59 (qq, J = 6.7, 1.4 Hz, 1H), 3.18 (d, J = 18.3 Hz, 1H), 2.84 (d, J = 18.3 Hz, 1H), 1.68 (dq, J = 6.6, 1.1 Hz, 3H), 1.50 (quint, J = 1.2 Hz, 3H), 1.38 (s, 3H) | null | [('m', [], '4H', 8.07, 8.0), ('m', [], '3H', 7.5, 7.45), ('m', [], '2H', 7.39, 7.32), ('m', [], '1H', 7.22, 7.17), ('s', [], '1H', 5.75, 5.75), ('qq', ['6.7Hz', '1.4Hz'], '1H', 5.59, 5.59), ('d', ['18.3Hz'], '1H', 3.18, 3.18), ('d', ['18.3Hz'], '1H', 2.84, 2.84), ('dq', ['6.6Hz', '1.1Hz'], '3H', 1.68, 1.68), ('p', ['1.... | 23 | 12 | 23 |
10.1002_anie.202414612 | C[C@]1(C(C)=CC)C(=Cc2ccccc2)N=C(c2ccccc2)C1 | 42 | 42 | [0.44222689 0.18437501 0.55720589 0.2496094 ] | [0.08955095 0.26367189 0.90877634 0.29804688] | 13C NMR | 101 MHz | CDCl3 | 174.6, 164.1, 139.1, 137.6, 134.7, 131.3, 129.6, 128.7, 128.4, 128.3, 126.5, 118.2, 117.0, 51.6, 47.1, 26.9, 13.8, 13.8 | null | [(174.6, None, None), (164.1, None, None), (139.1, None, None), (137.6, None, None), (134.7, None, None), (131.3, None, None), (129.6, None, None), (128.7, None, None), (128.4, None, None), (128.3, None, None), (126.5, None, None), (118.2, None, None), (117.0, None, None), (51.6, None, None), (47.1, None, None), (26.9,... | 22 | 18 | 18 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(C)C(CC)=C)ccccc1 | 42 | 42 | [0.45217701 0.54453127 0.54615022 0.61015628] | [0.08844538 0.62460943 0.90877634 0.65820312] | 1H NMR | 400 MHz | CDCl3 | 8.08-8.01 (m, 4H), 7.52-7.45 (m, 3H), 7.40-7.35 (m, 2H), 7.25-7.18 (m, 1H), 5.80 (s, 1H), 5.18 (q, J = 1.1 Hz, 1H), 5.00 (q, J = 1.3 Hz, 1H), 3.23 (d, J = 18.3 Hz, 1H), 2.90 (d, J = 18.4 Hz, 1H), 2.01-1.83 (m, 2H), 1.45 (s, 3H), 1.06 (t, J = 7.4 Hz, 3H) | null | [('m', [], '4H', 8.08, 8.01), ('m', [], '3H', 7.52, 7.45), ('m', [], '2H', 7.4, 7.35), ('m', [], '1H', 7.25, 7.18), ('s', [], '1H', 5.8, 5.8), ('q', ['1.1Hz'], '1H', 5.18, 5.18), ('q', ['1.3Hz'], '1H', 5.0, 5.0), ('d', ['18.3Hz'], '1H', 3.23, 3.23), ('d', ['18.4Hz'], '1H', 2.9, 2.9), ('m', [], '2H', 2.01, 1.83), ('s', ... | 23 | 12 | 23 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@]2(C)C(CC)=C)ccccc1 | 42 | 42 | [0.45217701 0.54453127 0.54615022 0.61015628] | [0.08844538 0.62460943 0.90877634 0.65820312] | 13C NMR | 101 MHz | CDCl3 | 174.5, 163.8, 154.8, 137.5, 134.5, 131.3, 129.6, 128.7, 128.4, 128.4, 126.6, 117.2, 107.9, 51.2, 47.4, 27.3, 24.6, 12.9 | null | [(174.5, None, None), (163.8, None, None), (154.8, None, None), (137.5, None, None), (134.5, None, None), (131.3, None, None), (129.6, None, None), (128.7, None, None), (128.4, None, None), (128.4, None, None), (126.6, None, None), (117.2, None, None), (107.9, None, None), (51.2, None, None), (47.4, None, None), (27.3,... | 22 | 18 | 18 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]2(C(C)C)C(C)C)ccccc1 | 44 | 44 | [0.30568935 0.64609381 0.39745145 0.71171878] | [0.08955095 0.24375002 0.90932904 0.41718751] | 1H NMR | 400 MHz | CDCl3 | 7.37-7.27 (m, 6H), 7.24-7.16 (m, 4H), 5.08 (tt, J = 8.5, 2.1 Hz, 1H), 5.04 (brs, 1H), 5.01 (quint, J = 1.4 Hz, 1H), 3.62 (dd, J = 15.8, 1.9 Hz, 1H), 3.54 (dd, J = 15.8, 2.0 Hz, 1H), 2.51 (sept, J = 6.7 Hz, 1H), 2.38 (dd, J = 13.8, 8.4 Hz, 1H), 1.67 (d, J = 1.3 Hz, 3H), 1.63 (dd, J = 13.9, 8.6 Hz, 1H), 0.85 (d, J = 6.6 ... | null | [('m', [], '6H', 7.37, 7.27), ('m', [], '4H', 7.24, 7.16), ('tt', ['8.5Hz', '2.1Hz'], '1H', 5.08, 5.08), ('brs', [], '1H', 5.04, 5.04), ('p', ['1.4Hz'], '1H', 5.01, 5.01), ('dd', ['15.8Hz', '1.9Hz'], '1H', 3.62, 3.62), ('dd', ['15.8Hz', '2.0Hz'], '1H', 3.54, 3.54), ('hept', ['6.7Hz'], '1H', 2.51, 2.51), ('dd', ['13.8Hz... | 27 | 10 | 27 |
10.1002_anie.202414612 | c1(/C=C2\N=C(c3ccccc3)C[C@@]2(C(C)C)C(C)C)ccccc1 | 44 | 44 | [0.30568935 0.64609381 0.39745145 0.71171878] | [0.08955095 0.24375002 0.90932904 0.41718751] | 13C NMR | 101 MHz | CDCl3 | 179.1, 145.5, 145.2, 137.6, 129.7, 128.5, 128.3, 126.7, 126.5, 126.4, 113.4, 74.1, 69.9, 37.8, 36.0, 29.1, 20.9, 18.9, 18.4 | null | [(179.1, None, None), (145.5, None, None), (145.2, None, None), (137.6, None, None), (129.7, None, None), (128.5, None, None), (128.3, None, None), (126.7, None, None), (126.5, None, None), (126.4, None, None), (113.4, None, None), (74.1, None, None), (69.9, None, None), (37.8, None, None), (36.0, None, None), (29.1, N... | 23 | 15 | 19 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3cccc(Cl)c3)C=C2C)ccccc1 | 47 | 47 | [0.42785455 0.37421876 0.57047273 0.44375001] | [0.08899817 0.45859377 0.90822354 0.49296878] | 1H NMR | 400 MHz | CDCl3 | 7.81 (br s, 1H), 7.66-7.62 (m, 1H), 7.39-7.35 (m, 1H), 7.31 (t, J = 7.8 Hz, 1H), 7.06-7.02 (m, 5H), 6.30 (brs, 1H), 5.34 (s, 1H), 5.21 (br s, 1H), 3.68 (d, J = 12.8 Hz, 1H), 3.21 (d, J = 12.8 Hz, 1H), 2.05 (d, J = 1.4 Hz, 3H), 1.40 (s, 3H) | null | [('brs', [], '1H', 7.81, 7.81), ('m', [], '1H', 7.66, 7.62), ('m', [], '1H', 7.39, 7.35), ('t', ['7.8Hz'], '1H', 7.31, 7.31), ('m', [], '5H', 7.06, 7.02), ('brs', [], '1H', 6.3, 6.3), ('s', [], '1H', 5.34, 5.34), ('brs', [], '1H', 5.21, 5.21), ('d', ['12.8Hz'], '1H', 3.68, 3.68), ('d', ['12.8Hz'], '1H', 3.21, 3.21), ('... | 20 | 12 | 20 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3cccc(Cl)c3)C=C2C)ccccc1 | 47 | 47 | [0.42785455 0.37421876 0.57047273 0.44375001] | [0.08899817 0.45859377 0.90822354 0.49296878] | 13C NMR | 101 MHz | CDCl3 | 171.7, 169.0, 143.5, 136.1, 135.8, 134.7, 130.2, 130.0, 129.8, 127.7, 127.2, 126.3, 125.7, 124.6, 113.1, 88.4, 39.4, 18.5, 13.9 | null | [(171.7, None, None), (169.0, None, None), (143.5, None, None), (136.1, None, None), (135.8, None, None), (134.7, None, None), (130.2, None, None), (130.0, None, None), (129.8, None, None), (127.7, None, None), (127.2, None, None), (126.3, None, None), (125.7, None, None), (124.6, None, None), (113.1, None, None), (88.... | 21 | 19 | 19 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3ccccc3C)C=C2C)ccccc1 | 47 | 47 | [0.44056858 0.73984381 0.5577587 0.81015631] | [0.08899817 0.82343754 0.90877634 0.85781251] | 1H NMR | 400 MHz | CDCl3 | 7.26-7.22 (m, 2H), 7.18-7.14 (m, 1H), 7.14-7.04 (m, 6H), 6.12 (q, J = 1.5 Hz, 1H), 5.32 (brs, 1H), 5.21-5.19 (m, 1H), 3.65 (d, J = 12.7 Hz, 1H), 3.24 (d, J = 12.7 Hz, 1H), 2.07 (d, J = 1.5 Hz, 3H), 2.02 (s, 3H), 1.47 (dd, J = 1.5, 0.7 Hz, 3H) | null | [('m', [], '2H', 7.26, 7.22), ('m', [], '1H', 7.18, 7.14), ('m', [], '6H', 7.14, 7.04), ('q', ['1.5Hz'], '1H', 6.12, 6.12), ('brs', [], '1H', 5.32, 5.32), ('m', [], '1H', 5.21, 5.19), ('d', ['12.7Hz'], '1H', 3.65, 3.65), ('d', ['12.7Hz'], '1H', 3.24, 3.24), ('d', ['1.5Hz'], '3H', 2.07, 2.07), ('s', [], '3H', 2.02, 2.02... | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3ccccc3C)C=C2C)ccccc1 | 47 | 47 | [0.44056858 0.73984381 0.5577587 0.81015631] | [0.08899817 0.82343754 0.90877634 0.85781251] | 13C NMR | 101 MHz | CDCl3 | 175.3, 166.9, 144.0, 136.3, 136.1, 135.5, 130.4, 130.3, 129.1, 128.8, 128.4, 127.3, 126.3, 125.8, 112.9, 87.8, 39.2, 20.3, 18.6, 13.8 | null | [(175.3, None, None), (166.9, None, None), (144.0, None, None), (136.3, None, None), (136.1, None, None), (135.5, None, None), (130.4, None, None), (130.3, None, None), (129.1, None, None), (128.8, None, None), (128.4, None, None), (127.3, None, None), (126.3, None, None), (125.8, None, None), (112.9, None, None), (87.... | 22 | 20 | 20 |
10.1002_anie.202414612 | c1(CCC2=N[C@@](Cc3ccccc3)(C(C)=C)C(C)=C2)ccccc1 | 48 | 48 | [0.43448794 0.29765626 0.56273373 0.35078126] | [0.08899817 0.36523441 0.90822354 0.39921878] | 1H NMR | 400 MHz | CDCl3 | 7.27-7.22 (m, 2H), 7.19-7.10 (m, 6H), 7.05-7.01 (m, 2H), 5.75 (q, J = 1.5 Hz, 1H), 5.24 (br s, 1H), 5.14-5.12 (m, 1H), 3.52 (d, J = 12.7 Hz, 1H), 3.11 (d, J = 12.7 Hz, 1H), 2.77-2.56 (m, 4H), 1.96 (d, J = 1.5 Hz, 3H), 1.30 (dd, J = 1.4, 0.7 Hz, 3H) | null | [('m', [], '2H', 7.27, 7.22), ('m', [], '6H', 7.19, 7.1), ('m', [], '2H', 7.05, 7.01), ('q', ['1.5Hz'], '1H', 5.75, 5.75), ('brs', [], '1H', 5.24, 5.24), ('m', [], '1H', 5.14, 5.12), ('d', ['12.7Hz'], '1H', 3.52, 3.52), ('d', ['12.7Hz'], '1H', 3.11, 3.11), ('m', [], '4H', 2.77, 2.56), ('d', ['1.5Hz'], '3H', 1.96, 1.96)... | 25 | 13 | 25 |
10.1002_anie.202414612 | c1(CCC2=N[C@@](Cc3ccccc3)(C(C)=C)C(C)=C2)ccccc1 | 48 | 48 | [0.43448794 0.29765626 0.56273373 0.35078126] | [0.08899817 0.36523441 0.90822354 0.39921878] | 13C NMR | 101 MHz | CDCl3 | 176.6, 167.2, 143.9, 141.6, 136.4, 130.4, 128.5, 128.4, 127.2, 127.1, 126.2, 126.1, 112.6, 87.0, 39.0, 34.3, 33.1, 18.3, 13.6 | null | [(176.6, None, None), (167.2, None, None), (143.9, None, None), (141.6, None, None), (136.4, None, None), (130.4, None, None), (128.5, None, None), (128.4, None, None), (127.2, None, None), (127.1, None, None), (126.2, None, None), (126.1, None, None), (112.6, None, None), (87.0, None, None), (39.0, None, None), (34.3,... | 23 | 19 | 19 |
10.1002_anie.202414612 | c1(C[C@@]2(Cc3ccccc3)N=C(c3ccccc3)C=C2C(=C)C)ccccc1 | 49 | 49 | [0.44886034 0.18574219 0.54946694 0.23925783] | [0.08955095 0.25429689 0.90767073 0.28828126] | 1H NMR | 400 MHz | CDCl3 | 7.64-7.59 (m, 2H), 7.38-7.32 (m, 3H), 7.08-7.00 (m, 10H), 6.19 (s, 1H), 5.76 (s, 1H), 5.55 (br s, 1H), 3.67 (d, J = 13.0 Hz, 2H), 3.34 (d, J = 13.0 Hz, 2H), 1.90 (d, J = 1.2 Hz, 3H) | null | [('m', [], '2H', 7.64, 7.59), ('m', [], '3H', 7.38, 7.32), ('m', [], '10H', 7.08, 7.0), ('s', [], '1H', 6.19, 6.19), ('s', [], '1H', 5.76, 5.76), ('brs', [], '1H', 5.55, 5.55), ('d', ['13.0Hz'], '2H', 3.67, 3.67), ('d', ['13.0Hz'], '2H', 3.34, 3.34), ('d', ['1.2Hz'], '3H', 1.9, 1.9)] | 25 | 10 | 25 |
10.1002_anie.202414612 | c1(C[C@@]2(Cc3ccccc3)N=C(c3ccccc3)C=C2C(=C)C)ccccc1 | 49 | 49 | [0.44886034 0.18574219 0.54946694 0.23925783] | [0.08955095 0.25429689 0.90767073 0.28828126] | 13C NMR | 101 MHz | CDCl3 | 170.5, 166.1, 137.9, 136.5, 134.3, 130.0, 129.9, 128.5, 127.4, 127.2, 126.7, 126.2, 117.7, 85.5, 44.7, 22.8 | null | [(170.5, None, None), (166.1, None, None), (137.9, None, None), (136.5, None, None), (134.3, None, None), (130.0, None, None), (129.9, None, None), (128.5, None, None), (127.4, None, None), (127.2, None, None), (126.7, None, None), (126.2, None, None), (117.7, None, None), (85.5, None, None), (44.7, None, None), (22.8,... | 27 | 16 | 16 |
10.1002_anie.202414612 | CC([C@]1(Cc2ccccc2)C(CCOCc2ccccc2)=CC(c2ccccc2)=N1)=C | 49 | 49 | [0.43504074 0.53515629 0.56439209 0.58671878] | [0.08899817 0.60000001 0.90822354 0.63437506] | 1H NMR | 400 MHz | CDCl3 | 7.80-7.76 (m, 2H), 7.42-7.29 (m, 8H), 7.06-6.98 (m, 5H), 6.37 (t, J = 1.7 Hz, 1H), 5.36 (s, 1H), 5.22-5.19 (m, 1H), 4.56 (s, 2H), 3.76-3.65 (m, 3H), 3.25 (d, J = 12.9 Hz, 1H), 2.74 (dddd, J = 17.4, 7.7, 6.4, 1.8 Hz, 1H), 2.60 (dddd, J = 17.3, 8.0, 6.4, 1.7 Hz, 1H), 1.38 (d, J = 1.2 Hz, 3H) | null | [('m', [], '2H', 7.8, 7.76), ('m', [], '8H', 7.42, 7.29), ('m', [], '5H', 7.06, 6.98), ('t', ['1.7Hz'], '1H', 6.37, 6.37), ('s', [], '1H', 5.36, 5.36), ('m', [], '1H', 5.22, 5.19), ('s', [], '2H', 4.56, 4.56), ('m', [], '3H', 3.76, 3.65), ('d', ['12.9Hz'], '1H', 3.25, 3.25), ('dddd', ['17.4Hz', '7.7Hz', '6.4Hz', '1.8Hz... | 29 | 16 | 29 |
10.1002_anie.202414612 | CC([C@]1(Cc2ccccc2)C(CCOCc2ccccc2)=CC(c2ccccc2)=N1)=C | 49 | 49 | [0.43504074 0.53515629 0.56439209 0.58671878] | [0.08899817 0.60000001 0.90822354 0.63437506] | 13C NMR | 101 MHz | CDCl3 | 172.9, 168.9, 143.7, 138.3, 136.1, 134.0, 130.3, 130.1, 128.6, 128.6, 127.9, 127.8, 127.7, 127.2, 126.2, 123.6, 113.2, 88.5, 73.1, 67.9, 39.5, 28.5, 18.5 | null | [(172.9, None, None), (168.9, None, None), (143.7, None, None), (138.3, None, None), (136.1, None, None), (134.0, None, None), (130.3, None, None), (130.1, None, None), (128.6, None, None), (128.6, None, None), (127.9, None, None), (127.8, None, None), (127.7, None, None), (127.2, None, None), (126.2, None, None), (123... | 29 | 23 | 23 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3ccccc3)C=C2C(C)C)ccccc1 | 50 | 50 | [0.44996589 0.0878418 0.54891414 0.14023438] | [0.08955095 0.15361329 0.90767073 0.1866211 ] | 1H NMR | 400 MHz | CDCl3 | 7.87-7.79 (m, 2H), 7.44-7.37 (m, 3H), 7.10-7.00 (m, 5H), 6.37 (s, 1H), 5.42 (s, 1H), 5.20 (s, 1H), 3.69 (d, J = 12.9 Hz, 1H), 3.38 (d, J = 12.9 Hz, 1H), 2.76 (hept, J = 6.8 Hz, 1H), 1.40 (s, 3H), 1.14 (d, J = 6.7 Hz, 3H), 1.13 (d, J = 6.7 Hz, 3H) | null | [('m', [], '2H', 7.87, 7.79), ('m', [], '3H', 7.44, 7.37), ('m', [], '5H', 7.1, 7.0), ('s', [], '1H', 6.37, 6.37), ('s', [], '1H', 5.42, 5.42), ('s', [], '1H', 5.2, 5.2), ('d', ['12.9Hz'], '1H', 3.69, 3.69), ('d', ['12.9Hz'], '1H', 3.38, 3.38), ('hept', ['6.8Hz'], '1H', 2.76, 2.76), ('s', [], '3H', 1.4, 1.4), ('d', ['6... | 25 | 12 | 25 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3ccccc3)C=C2C(C)C)ccccc1 | 50 | 50 | [0.44996589 0.0878418 0.54891414 0.14023438] | [0.08955095 0.15361329 0.90767073 0.1866211 ] | 13C NMR | 101 MHz | CDCl3 | 178.8, 172.7, 144.2, 136.5, 134.2, 130.4, 130.2, 128.6, 127.7, 127.1, 126.2, 122.2, 112.9, 88.4, 39.9, 28.0, 23.1, 22.4, 19.0 | null | [(178.8, None, None), (172.7, None, None), (144.2, None, None), (136.5, None, None), (134.2, None, None), (130.4, None, None), (130.2, None, None), (128.6, None, None), (127.7, None, None), (127.1, None, None), (126.2, None, None), (122.2, None, None), (112.9, None, None), (88.4, None, None), (39.9, None, None), (28.0,... | 23 | 18 | 19 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3ccccc3)C=C2c2ccccc2)ccccc1 | 50 | 50 | [0.45162425 0.41289065 0.54670302 0.46523439] | [0.08955095 0.4792969 0.90767073 0.51289067] | 1H NMR | 400 MHz | CDCl3 | 7.91-7.85 (m, 2H), 7.69-7.64 (m, 2H), 7.47-7.40 (m, 6H), 6.99-6.88 (m, 4H), 6.70 (d, J = 7.4 Hz, 2H), 5.65 (s, 1H), 5.37 (s, 1H), 3.92 (d, J = 12.4 Hz, 1H), 3.38 (d, J = 12.5 Hz, 1H), 1.47 (s, 3H) | null | [('m', [], '2H', 7.91, 7.85), ('m', [], '2H', 7.69, 7.64), ('m', [], '6H', 7.47, 7.4), ('m', [], '4H', 6.99, 6.88), ('d', ['7.4Hz'], '2H', 6.7, 6.7), ('s', [], '1H', 5.65, 5.65), ('s', [], '1H', 5.37, 5.37), ('d', ['12.4Hz'], '1H', 3.92, 3.92), ('d', ['12.5Hz'], '1H', 3.38, 3.38), ('s', [], '3H', 1.47, 1.47)] | 23 | 13 | 23 |
10.1002_anie.202414612 | c1(C[C@@]2(C(C)=C)N=C(c3ccccc3)C=C2c2ccccc2)ccccc1 | 50 | 50 | [0.45162425 0.41289065 0.54670302 0.46523439] | [0.08955095 0.4792969 0.90767073 0.51289067] | 13C NMR | 101 MHz | CDCl3 | 172.2, 167.5, 144.5, 135.9, 133.9, 133.6, 130.4, 130.3, 129.1, 128.9, 128.6, 127.7, 126.9, 126.8, 126.2, 124.2, 113.5, 87.1, 40.5, 19.0 | null | [(172.2, None, None), (167.5, None, None), (144.5, None, None), (135.9, None, None), (133.9, None, None), (133.6, None, None), (130.4, None, None), (130.3, None, None), (129.1, None, None), (128.9, None, None), (128.6, None, None), (127.7, None, None), (126.9, None, None), (126.8, None, None), (126.2, None, None), (124... | 26 | 20 | 20 |
10.1002_anie.202414612 | CCCC(=CCC)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)C=C1C | 50 | 50 | [0.44830753 0.75859378 0.5505725 0.82109378] | [0.08899817 0.83437501 0.90877634 0.89375004] | 1H NMR | 400 MHz | CDCl3 | 7.79-7.74 (m, 2H), 7.41-7.36 (m, 3H), 7.05-6.99 (m, 5H), 6.30 (q, J = 1.6 Hz, 1H), 5.75 (t, J = 7.1 Hz, 1H), 3.60 (d, J = 12.7 Hz, 1H), 3.18 (d, J = 12.7 Hz, 1H), 2.18 (p, J = 7.4 Hz, 2H), 2.02 (d, J = 1.5 Hz, 3H), 1.67-1.58 (m, 1H), 1.40-1.22 (m, 3H), 1.08 (t, J = 7.5 Hz, 3H), 0.73 (t, J = 7.2 Hz, 3H) | null | [('m', [], '2H', 7.79, 7.74), ('m', [], '3H', 7.41, 7.36), ('m', [], '5H', 7.05, 6.99), ('q', ['1.6Hz'], '1H', 6.3, 6.3), ('t', ['7.1Hz'], '1H', 5.75, 5.75), ('d', ['12.7Hz'], '1H', 3.6, 3.6), ('d', ['12.7Hz'], '1H', 3.18, 3.18), ('p', ['7.4Hz'], '2H', 2.18, 2.18), ('d', ['1.5Hz'], '3H', 2.02, 2.02), ('m', [], '1H', 1.... | 29 | 15 | 29 |
10.1002_anie.202414612 | CCCC(=CCC)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)C=C1C | 50 | 50 | [0.44830753 0.75859378 0.5505725 0.82109378] | [0.08899817 0.83437501 0.90877634 0.89375004] | 13C NMR | 101 MHz | CDCl3 | 172.5, 169.1, 137.4, 136.6, 134.4, 130.2, 130.0, 129.7, 128.5, 127.6, 127.1, 126.1, 124.8, 89.1, 39.4, 30.0, 24.1, 22.0, 14.9, 14.7, 14.1 | null | [(172.5, None, None), (169.1, None, None), (137.4, None, None), (136.6, None, None), (134.4, None, None), (130.2, None, None), (130.0, None, None), (129.7, None, None), (128.5, None, None), (127.6, None, None), (127.1, None, None), (126.1, None, None), (124.8, None, None), (89.1, None, None), (39.4, None, None), (30.0,... | 25 | 21 | 21 |
10.1002_anie.202414612 | c1(C[C@@]2(C=C)N=C(c3ccccc3)C(C)=C2CC)ccccc1 | 51 | 51 | [0.45494092 0.31757813 0.54283355 0.3777344 ] | [0.08955095 0.39238284 0.90877634 0.42656253] | 1H NMR | 400 MHz | CDCl3 | 7.46-7.42 (m, 2H), 7.39-7.35 (m, 3H), 7.12-7.04 (m, 5H), 5.82 (dd, J = 17.3, 10.6 Hz, 1H), 5.42 (dd, J = 17.3, 1.3 Hz, 1H), 5.17 (dd, J = 10.6, 1.3 Hz, 1H), 3.46 (d, J = 13.0 Hz, 1H), 3.14 (d, J = 13.0 Hz, 1H), 2.46 (q, J = 7.6 Hz, 2H), 1.71 (s, 3H), 1.13 (t, J = 7.6 Hz, 3H) | null | [('m', [], '2H', 7.46, 7.42), ('m', [], '3H', 7.39, 7.35), ('m', [], '5H', 7.12, 7.04), ('dd', ['17.3Hz', '10.6Hz'], '1H', 5.82, 5.82), ('dd', ['17.3Hz', '1.3Hz'], '1H', 5.42, 5.42), ('dd', ['10.6Hz', '1.3Hz'], '1H', 5.17, 5.17), ('d', ['13.0Hz'], '1H', 3.46, 3.46), ('d', ['13.0Hz'], '1H', 3.14, 3.14), ('q', ['7.6Hz'],... | 23 | 12 | 23 |
10.1002_anie.202414612 | c1(C[C@@]2(C=C)N=C(c3ccccc3)C(C)=C2CC)ccccc1 | 51 | 51 | [0.45494092 0.31757813 0.54283355 0.3777344 ] | [0.08955095 0.39238284 0.90877634 0.42656253] | 13C NMR | 101 MHz | CDCl3 | 175.5, 165.8, 137.5, 136.3, 135.6, 132.0, 130.2, 129.2, 128.2, 128.1, 127.2, 126.2, 114.4, 84.8, 40.6, 20.5, 13.4, 11.5 | null | [(175.5, None, None), (165.8, None, None), (137.5, None, None), (136.3, None, None), (135.6, None, None), (132.0, None, None), (130.2, None, None), (129.2, None, None), (128.2, None, None), (128.1, None, None), (127.2, None, None), (126.2, None, None), (114.4, None, None), (84.8, None, None), (40.6, None, None), (20.5,... | 22 | 18 | 18 |
10.1002_anie.202414612 | c1(C2=N[C@@](Cc3ccc(C(F)(F)F)cc3)(C(C)=C)C(C)=C2)ccccc1 | 51 | 51 | [0.42509063 0.67265628 0.57102548 0.73828132] | [0.08955095 0.7527344 0.90767073 0.78632817] | 1H NMR | 400 MHz | CDCl3 | 7.80-7.76 (m, 2H), 7.44-7.37 (m, 3H), 7.29 (d, J = 8.0 Hz, 2H), 7.17 (d, J = 8.0 Hz, 2H), 6.37 (q, J = 1.5 Hz, 1H), 5.32 (s, 1H), 5.23-5.20 (m, 1H), 3.72 (d, J = 12.8 Hz, 1H), 3.25 (d, J = 12.8 Hz, 1H), 2.05 (d, J = 1.5 Hz, 3H), 1.40 (d, J = 1.3 Hz, 3H) | null | [('m', [], '2H', 7.8, 7.76), ('m', [], '3H', 7.44, 7.37), ('d', ['8.0Hz'], '2H', 7.29, 7.29), ('d', ['8.0Hz'], '2H', 7.17, 7.17), ('q', ['1.5Hz'], '1H', 6.37, 6.37), ('s', [], '1H', 5.32, 5.32), ('m', [], '1H', 5.23, 5.2), ('d', ['12.8Hz'], '1H', 3.72, 3.72), ('d', ['12.8Hz'], '1H', 3.25, 3.25), ('d', ['1.5Hz'], '3H', ... | 20 | 10 | 20 |
10.1002_anie.202414612 | c1(C2=N[C@@](Cc3ccc(C(F)(F)F)cc3)(C(C)=C)C(C)=C2)ccccc1 | 51 | 51 | [0.42509063 0.67265628 0.57102548 0.73828132] | [0.08955095 0.7527344 0.90767073 0.78632817] | 13C NMR | 101 MHz | CDCl3 | 173.3, 168.0, 143.5, 140.5, 133.7, 130.6, 130.3, 128.7, 128.5 (q, J = 32.1 Hz), 127.6, 125.2, 124.4 (q, J = 271.9 Hz), 124.1 (q, J = 3.7 Hz), 113.1, 87.9, 39.1, 18.4, 13.8 | null | [(173.3, None, None), (168.0, None, None), (143.5, None, None), (140.5, None, None), (133.7, None, None), (130.6, None, None), (130.3, None, None), (128.7, None, None), (128.5, 'q', 32.1), (127.6, None, None), (125.2, None, None), (124.4, 'q', 271.9), (124.1, 'q', 3.7), (113.1, None, None), (87.9, None, None), (39.1, N... | 22 | 18 | 18 |
10.1002_anie.202414612 | c1(C2=N[C@@](Cc3ccc(C(F)(F)F)cc3)(C(C)=C)C(C)=C2)ccccc1 | 51 | 51 | [0.42509063 0.67265628 0.57102548 0.73828132] | [0.08955095 0.7527344 0.90767073 0.78632817] | 19F NMR | 377 MHz | CDCl3 | -62.4 | null | [(-62.4, None, None)] | 3 | 1 | 1 |
10.1002_anie.202414612 | CC(C)[Si](C(C)C)(C(C)C)C[C@@]1(C(C)=C)N=C(c2ccccc2)C=C1C | 53 | 53 | [0.45217701 0.18476563 0.54946694 0.23710939] | [0.08899817 0.25078126 0.90822354 0.28515627] | 1H NMR | 400 MHz | CDCl3 | 7.97-7.92 (m, 2H), 7.46-7.42 (m, 3H), 6.57 (q, J = 1.5 Hz, 1H), 5.24 (s, 1H), 5.06-5.03 (m, 1H), 1.97 (d, J = 1.5 Hz, 3H), 1.71 (d, J = 14.6 Hz, 1H), 1.29 (d, J = 1.3 Hz, 3H), 1.09-1.02 (m, 13H), 0.97-0.95 (m, 8H), 0.84 (d, J = 14.7 Hz, 1H) | null | [('m', [], '2H', 7.97, 7.92), ('m', [], '3H', 7.46, 7.42), ('q', ['1.5Hz'], '1H', 6.57, 6.57), ('s', [], '1H', 5.24, 5.24), ('m', [], '1H', 5.06, 5.03), ('d', ['1.5Hz'], '3H', 1.97, 1.97), ('d', ['14.6Hz'], '1H', 1.71, 1.71), ('d', ['1.3Hz'], '3H', 1.29, 1.29), ('m', [], '13H', 1.09, 1.02), ('m', [], '8H', 0.97, 0.95),... | 37 | 10 | 37 |
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