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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1021_acs.orglett.4c00647 | C(#Cc1cc(Cl)ccc1-c1ccccc1C=C(C)C)[Si](C(C)C)(C(C)C)C(C)C | 5 | 5 | [0.14084148 0.10781251 0.24357291 0.18398439] | [0.25793321 0.10429688 0.8555429 0.18476563] | 1H NMR | 300 MHz | CDCl3 | 7.61-7.58 (m, 1H), 7.36-7.22 (m, 5H), 7.13 (d, J = 7.8 Hz, 1H), 6.10 (bs, 1H), 1.77 (s, 3H), 1.71 (s, 3H), 1.02 (bs, 21H) | null | [('m', [], '1H', 7.61, 7.58), ('m', [], '5H', 7.36, 7.22), ('d', ['7.8Hz'], '1H', 7.13, 7.13), ('brs', [], '1H', 6.1, 6.1), ('s', [], '3H', 1.77, 1.77), ('s', [], '3H', 1.71, 1.71), ('brs', [], '21H', 1.02, 1.02)] | 35 | 11 | 35 |
10.1021_acs.orglett.4c00647 | C(#Cc1cc(Cl)ccc1-c1ccccc1C=C(C)C)[Si](C(C)C)(C(C)C)C(C)C | 5 | 5 | [0.14084148 0.10781251 0.24357291 0.18398439] | [0.25793321 0.10429688 0.8555429 0.18476563] | 13C NMR | 75 MHz | CDCl3 | 143.1 (C), 139.1 (C), 137.2 (C), 135.2 (C), 132.4 (CH), 132.3 (C), 131.6 (CH), 130.2 (CH), 129.7 (CH), 127.9 (CH), 127.3 (CH), 125.9 (CH), 124.6 (C), 124.3 (CH), 104.8 (C), 95.2 (C), 26.3 (CH3), 19.6 (CH3), 18.8 (6 x CH3), 11.4 (3 x CH) | null | [(143.1, None, None), (139.1, None, None), (137.2, None, None), (135.2, None, None), (132.4, None, None), (132.3, None, None), (131.6, None, None), (130.2, None, None), (129.7, None, None), (127.9, None, None), (127.3, None, None), (125.9, None, None), (124.6, None, None), (124.3, None, None), (104.8, None, None), (95.... | 27 | 19 | 20 |
10.1021_acs.orglett.4c00647 | COc1ccc(-c2ccccc2C#C[Si](C(C)C)(C(C)C)C(C)C)c(C=C(C)C)c1 | 5 | 5 | [0.14857395 0.29726564 0.25296233 0.37382815] | [0.15685874 0.37578128 0.85609524 0.38984376] | 1H NMR | 300 MHz | CDCl3 | 7.59-7.54 (m, 1H), 7.32-7.21 (m, 3H), 7.20-7.15 (m, 1H), 6.85 (dd, J = 2.8, 0.6 Hz, 1H), 6.83-6.76 (m, 1H), 6.09 (bs, 1H), 3.86 (s, 3H), 1.73 (bs, 3H), 1.70 (bs, 3H), 1.02 (bs, 21H) | null | [('m', [], '1H', 7.59, 7.54), ('m', [], '3H', 7.32, 7.21), ('m', [], '1H', 7.2, 7.15), ('dd', ['2.8Hz', '0.6Hz'], '1H', 6.85, 6.85), ('m', [], '1H', 6.83, 6.76), ('brs', [], '1H', 6.09, 6.09), ('s', [], '3H', 3.86, 3.86), ('brs', [], '3H', 1.73, 1.73), ('brs', [], '3H', 1.7, 1.7), ('brs', [], '21H', 1.02, 1.02)] | 38 | 12 | 38 |
10.1021_acs.orglett.4c00647 | C(#Cc1cc(OC)ccc1-c1ccccc1C=C(C)C)[Si](C(C)C)(C(C)C)C(C)C | 5 | 5 | [0.14360308 0.49648439 0.24688682 0.57460939] | [0.24495371 0.49140629 0.85609524 0.57187502] | 1H NMR | 300 MHz | CDCl3 | 7.38 (d, J = 6.9 Hz, 1H), 7.35-7.21 (m, 3H), 7.19-7.10 (m, 2H), 6.92 (dt, J = 8.5, 2.4 Hz, 1H), 6.14 (s, 1H), 3.88 (s, 3H), 1.78 (s, 3H), 1.74 (s, 3H), 1.02 (bs, 21H) | null | [('d', ['6.9Hz'], '1H', 7.38, 7.38), ('m', [], '3H', 7.35, 7.21), ('m', [], '2H', 7.19, 7.1), ('dt', ['8.5Hz', '2.4Hz'], '1H', 6.92, 6.92), ('s', [], '1H', 6.14, 6.14), ('s', [], '3H', 3.88, 3.88), ('s', [], '3H', 1.78, 1.78), ('s', [], '3H', 1.74, 1.74), ('brs', [], '21H', 1.02, 1.02)] | 38 | 12 | 38 |
10.1021_acs.orglett.4c00647 | C(#Cc1cc(OC)ccc1-c1ccccc1C=C(C)C)[Si](C(C)C)(C(C)C)C(C)C | 5 | 5 | [0.14360308 0.49648439 0.24688682 0.57460939] | [0.24495371 0.49140629 0.85609524 0.57187502] | 13C NMR | 75 MHz | CDCl3 | 158.1 (C), 140.0 (C), 137.5 (2 x C), 134.7 (C), 131.6 (CH), 130.8 (CH), 129.6 (CH), 126.8 (CH), 125.8 (CH), 124.8 (CH), 123.7 (C), 117.1 (CH), 114.5 (CH), 106.3 (C), 93.3 (C), 55.4 (CH3), 26.3 (CH3), 19.5 (CH3), 18.6 (6 x CH3), 11.3 (3 x CH) | null | [(158.1, None, None), (140.0, None, None), (137.5, None, None), (134.7, None, None), (131.6, None, None), (130.8, None, None), (129.6, None, None), (126.8, None, None), (125.8, None, None), (124.8, None, None), (123.7, None, None), (117.1, None, None), (114.5, None, None), (106.3, None, None), (93.3, None, None), (55.4... | 28 | 20 | 20 |
10.1021_acs.orglett.4c00647 | C(#Cc1cc(OC)ccc1-c1ccccc1C=C(C)C)[Si](C(C)C)(C(C)C)C(C)C | 5 | 5 | [0.14360308 0.49648439 0.24688682 0.57460939] | [0.24495371 0.49140629 0.85609524 0.57187502] | 13C NMR | 75 MHz | CDCl3 | 143.3 (C), 141.4 (C), 136.1 (C), 136.0 (C), 133.0 (CH), 131.3 (C), 131.0 (CH), 130.0 (CH), 129.9 (CH), 128.4 (CH), 127.3 (CH), 127.2 (CH), 123.3 (CH), 121.7 (C), 82.6 (C), 80.3 (CH), 26.3 (CH3), 19.5 (CH3) | null | [(143.3, None, None), (141.4, None, None), (136.1, None, None), (136.0, None, None), (133.0, None, None), (131.3, None, None), (131.0, None, None), (130.0, None, None), (129.9, None, None), (128.4, None, None), (127.3, None, None), (127.2, None, None), (123.3, None, None), (121.7, None, None), (82.6, None, None), (80.3... | 28 | 20 | 18 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C#C)c(C=C(C)C)c1 | 6 | 6 | [0.14332691 0.28554689 0.22921258 0.3542969 ] | [0.20932909 0.27421876 0.85499062 0.35742191] | 1H NMR | 300 MHz | CDCl3 | 7.58 (dd, J = 7.2, 1.2 Hz, 1H), 7.36-7.18 (m, 4H), 6.88-6.83 (m, 2H), 6.00 (bs, 1H), 3.87 (s, 3H), 2.95 (s, 1H), 1.75 (bs, 6H) | null | [('dd', ['7.2Hz', '1.2Hz'], '1H', 7.58, 7.58), ('m', [], '4H', 7.36, 7.18), ('m', [], '2H', 6.88, 6.83), ('brs', [], '1H', 6.0, 6.0), ('s', [], '3H', 3.87, 3.87), ('s', [], '1H', 2.95, 2.95), ('brs', [], '6H', 1.75, 1.75)] | 18 | 11 | 18 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C#C)c(C=C(C)C)c1 | 6 | 6 | [0.14332691 0.28554689 0.22921258 0.3542969 ] | [0.20932909 0.27421876 0.85499062 0.35742191] | 13C NMR | 75 MHz | CDCl3 | 158.5 (C), 144.4 (C), 138.7 (C), 135.4 (C), 133.0 (CH), 132.6 (C), 131.1 (CH), 130.7 (CH), 128.1 (CH), 126.5 (CH), 124.5 (CH), 121.9 (C), 115.1 (CH), 111.2 (CH), 83.3 (C), 79.7 (CH), 55.3 (CH3), 26.3 (CH3), 19.6 (CH3) | null | [(158.5, None, None), (144.4, None, None), (138.7, None, None), (135.4, None, None), (133.0, None, None), (132.6, None, None), (131.1, None, None), (130.7, None, None), (128.1, None, None), (126.5, None, None), (124.5, None, None), (121.9, None, None), (115.1, None, None), (111.2, None, None), (83.3, None, None), (79.7... | 19 | 18 | 19 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C#C)c(C=C(C)C)c1 | 6 | 6 | [0.14332691 0.28554689 0.22921258 0.3542969 ] | [0.20932909 0.27421876 0.85499062 0.35742191] | 13C NMR | 75 MHz | CDCl3 | 158.1 (C), 139.6 (C), 137.8 (C), 137.4 (C), 135.1 (C), 131.6 (CH), 130.4 (CH), 129.8 (CH), 127.1 (CH), 125.8 (CH), 124.7 (CH), 122.5 (C), 117.3 (CH), 115.1 (CH), 83.0 (C), 79.5 (CH), 55.4 (CH3), 26.3 (CH3), 19.4 (CH3) | null | [(158.1, None, None), (139.6, None, None), (137.8, None, None), (137.4, None, None), (135.1, None, None), (131.6, None, None), (130.4, None, None), (129.8, None, None), (127.1, None, None), (125.8, None, None), (124.7, None, None), (122.5, None, None), (117.3, None, None), (115.1, None, None), (83.0, None, None), (79.5... | 19 | 18 | 19 |
10.1021_acs.orglett.4c00647 | CC(C)=Cc1ccccc1-c1ccccc1C#Cc1ccccc1Br | 7 | 7 | [0.14912627 0.11113281 0.26345641 0.1732422 ] | [0.28941541 0.10468751 0.85609524 0.18447267] | 1H NMR | 300 MHz | CDCl3 | 7.69-7.66 (m, 1H), 7.52-7.48 (m, 1H), 7.42-7.30 (m, 5H), 7.29-7.24 (m, 2H), 7.24-7.15 (m, 2H), 7.11-7.04 (m, 1H), 6.03 (bs, 1H), 1.74 (s, 3H), 1.69 (s, 3H) | null | [('m', [], '1H', 7.69, 7.66), ('m', [], '1H', 7.52, 7.48), ('m', [], '5H', 7.42, 7.3), ('m', [], '2H', 7.29, 7.24), ('m', [], '2H', 7.24, 7.15), ('m', [], '1H', 7.11, 7.04), ('brs', [], '1H', 6.03, 6.03), ('s', [], '3H', 1.74, 1.74), ('s', [], '3H', 1.69, 1.69)] | 19 | 14 | 19 |
10.1021_acs.orglett.4c00647 | CC(C)=Cc1ccccc1-c1ccccc1C#Cc1ccccc1Br | 7 | 7 | [0.14912627 0.11113281 0.26345641 0.1732422 ] | [0.28941541 0.10468751 0.85609524 0.18447267] | 13C NMR | 75 MHz | CDCl3 | 144.4 (C), 140.1 (C), 137.5 (C), 135.1 (C), 133.2 (CH), 132.4 (CH), 132.2 (CH), 130.3 (CH), 130.2 (CH), 129.7 (CH), 129.0 (CH), 128.1 (CH), 127.1 (CH), 126.83 (CH), 126.76 (CH), 125.8 (CH), 125.7 (C), 125.1 (C), 124.4 (CH), 122.5 (C), 93.8 (C), 90.6 (C), 26.4 (CH3), 19.7 (CH3) | null | [(144.4, None, None), (140.1, None, None), (137.5, None, None), (135.1, None, None), (133.2, None, None), (132.4, None, None), (132.2, None, None), (130.3, None, None), (130.2, None, None), (129.7, None, None), (129.0, None, None), (128.1, None, None), (127.1, None, None), (126.83, None, None), (126.76, None, None), (1... | 24 | 23 | 24 |
10.1021_acs.orglett.4c00647 | O(C)c1cccc(C#Cc2ccccc2-c2ccccc2C=C(C)C)c1 | 7 | 7 | [0.14277459 0.30761719 0.2689796 0.3763672 ] | [0.28969158 0.30585938 0.85499062 0.3855469 ] | 1H NMR | 300 MHz | CDCl3 | 7.67-7.62 (m, 1H), 7.46-7.33 (m, 6H), 7.33-7.27 (m, 1H), 7.18 (t, J = 7.9 Hz, 1H), 6.86-6.82 (m, 2H), 6.72 (bs, 1H), 6.07 (bs, 1H), 3.77 (s, 3H), 1.75 (s, 3H), 1.72 (s, 3H) | null | [('m', [], '1H', 7.67, 7.62), ('m', [], '6H', 7.46, 7.33), ('m', [], '1H', 7.33, 7.27), ('t', ['7.9Hz'], '1H', 7.18, 7.18), ('m', [], '2H', 6.86, 6.82), ('brs', [], '1H', 6.72, 6.72), ('brs', [], '1H', 6.07, 6.07), ('s', [], '3H', 3.77, 3.77), ('s', [], '3H', 1.75, 1.75), ('s', [], '3H', 1.72, 1.72)] | 22 | 15 | 22 |
10.1021_acs.orglett.4c00647 | O(C)c1cccc(C#Cc2ccccc2-c2ccccc2C=C(C)C)c1 | 7 | 7 | [0.14277459 0.30761719 0.2689796 0.3763672 ] | [0.28969158 0.30585938 0.85499062 0.3855469 ] | 13C NMR | 75 MHz | CDCl3 | 159.2 (C), 144.6 (C), 140.4 (C), 137.7 (C), 135.2 (C), 131.9 (CH), 130.4 (CH), 130.3 (CH), 129.7 (CH), 129.3 (CH), 127.9 (CH), 127.1 (CH), 126.9 (CH), 125.7 (CH), 124.6 (C), 124.5 (CH), 123.9 (CH), 122.8 (C), 116.2 (CH), 114.8 (CH), 92.4 (C), 89.3 (C), 55.3 (CH3), 26.3 (CH3), 19.6 (CH3) | null | [(159.2, None, None), (144.6, None, None), (140.4, None, None), (137.7, None, None), (135.2, None, None), (131.9, None, None), (130.4, None, None), (130.3, None, None), (129.7, None, None), (129.3, None, None), (127.9, None, None), (127.1, None, None), (126.9, None, None), (125.7, None, None), (124.6, None, None), (124... | 25 | 24 | 25 |
10.1021_acs.orglett.4c00647 | CC(C)=Cc1ccccc1-c1ccccc1C#Cc1cccc2ccccc12 | 7 | 7 | [0.14664083 0.51250003 0.27118888 0.57578127] | [0.28499687 0.50703129 0.85609524 0.58359377] | 1H NMR | 300 MHz | CDCl3 | 7.83-7.74 (m, 3H), 7.58-7.31 (m, 12H), 6.07 (s, 1H), 1.71 (s, 3H), 1.65 (s, 3H) | null | [('m', [], '3H', 7.83, 7.74), ('m', [], '12H', 7.58, 7.31), ('s', [], '1H', 6.07, 6.07), ('s', [], '3H', 1.71, 1.71), ('s', [], '3H', 1.65, 1.65)] | 22 | 17 | 22 |
10.1021_acs.orglett.4c00647 | CC(C)=Cc1ccccc1-c1ccccc1C#Cc1cccc2ccccc12 | 7 | 7 | [0.14664083 0.51250003 0.27118888 0.57578127] | [0.28499687 0.50703129 0.85609524 0.58359377] | 13C NMR | 75 MHz | CDCl3 | 144.6 (C), 140.7 (C), 137.8 (C), 135.5 (C), 133.3 (C), 133.1 (C), 132.2 (CH), 130.3 (CH), 130.2 (CH), 130.0 (CH), 129.9 (CH), 128.5 (CH), 128.04 (CH), 127.95 (CH), 127.3 (CH), 127.1 (CH), 126.7 (CH), 126.6 (CH), 126.3 (CH), 126.1 (CH), 125.2 (CH), 124.3 (CH), 123.2 (C), 121.3 (C), 94.2 (C), 90.6 (C), 26.3 (CH3), 19.5 (... | null | [(144.6, None, None), (140.7, None, None), (137.8, None, None), (135.5, None, None), (133.3, None, None), (133.1, None, None), (132.2, None, None), (130.3, None, None), (130.2, None, None), (130.0, None, None), (129.9, None, None), (128.5, None, None), (128.04, None, None), (127.95, None, None), (127.3, None, None), (1... | 28 | 27 | 28 |
10.1021_acs.orglett.4c00647 | c1(C#Cc2ccccc2-c2cc(F)ccc2C=C(C)C)ccccc1 | 7 | 7 | [0.14719315 0.71406254 0.25489544 0.77890631] | [0.27947368 0.70859381 0.85609524 0.78828129] | 1H NMR | 300 MHz | CDCl3 | 7.67-7.60 (m, 1H), 7.38-7.23 (m, 9H), 7.19 (dd, J = 9.6, 2.7 Hz, 1H), 7.09 (td, J = 8.5, 2.8 Hz, 1H), 6.00 (bs, 1H), 1.72 (s, 3H), 1.67 (s, 3H) | null | [('m', [], '1H', 7.67, 7.6), ('m', [], '9H', 7.38, 7.23), ('dd', ['9.6Hz', '2.7Hz'], '1H', 7.19, 7.19), ('td', ['8.5Hz', '2.8Hz'], '1H', 7.09, 7.09), ('brs', [], '1H', 6.0, 6.0), ('s', [], '3H', 1.72, 1.72), ('s', [], '3H', 1.67, 1.67)] | 19 | 12 | 19 |
10.1021_acs.orglett.4c00647 | c1(C#Cc2ccccc2-c2cc(F)ccc2C=C(C)C)ccccc1 | 7 | 7 | [0.14719315 0.71406254 0.25489544 0.77890631] | [0.27947368 0.70859381 0.85609524 0.78828129] | 19F NMR | 283 MHz | CDCl3 | -117.2 (m) | null | [(-117.2, None, None)] | 1 | 1 | 1 |
10.1021_acs.orglett.4c00647 | c1(C#Cc2ccccc2-c2cc(F)ccc2C=C(C)C)ccccc1 | 7 | 7 | [0.14719315 0.71406254 0.25489544 0.77890631] | [0.27947368 0.70859381 0.85609524 0.78828129] | 13C NMR | 125 MHz | CDCl3 | 159.9 (C), 157.8 (C), 138.3 (C), 137.6 (C), 135.4 (C), 131.5 (2 x CH), 131.1 (C), 131.0 (CH), 130.6 (CH), 128.3 (2 x CH), 128.2 (CH), 126.9 (CH), 125.3 (C), 124.5 (C), 123.4 (CH), 123.3 (C), 107.2 (CH), 99.9 (CH), 92.8 (C), 88.8 (C), 55.8 (CH3), 55.6 (CH3), 26.2 (CH3), 19.4 (CH3) | null | [(159.9, None, None), (157.8, None, None), (138.3, None, None), (137.6, None, None), (135.4, None, None), (131.5, None, None), (131.1, None, None), (131.0, None, None), (130.6, None, None), (128.3, None, None), (128.2, None, None), (126.9, None, None), (125.3, None, None), (124.5, None, None), (123.4, None, None), (123... | 24 | 21 | 24 |
10.1021_acs.orglett.4c00647 | c1(C#Cc2cc(OC)cc(OC)c2-c2cc(Cl)ccc2C=C(C)C)ccccc1 | 8 | 8 | [0.14995474 0.11113281 0.27284583 0.19121095] | [0.29797637 0.09809571 0.85609524 0.20039063] | 1H NMR | 500 MHz | CDCl3 | 7.36-7.33 (m, 2H), 7.29-7.24 (m, 4H), 7.22-7.19 (m, 2H), 6.77 (d, J = 2.4 Hz, 1H), 6.55 (d, J = 2.4 Hz, 1H), 5.91 (bs, 1H), 3.89 (s, 3H), 3.71 (s, 3H), 1.72 (s, 3H), 1.67 (s, 3H) | null | [('m', [], '2H', 7.36, 7.33), ('m', [], '4H', 7.29, 7.24), ('m', [], '2H', 7.22, 7.19), ('d', ['2.4Hz'], '1H', 6.77, 6.77), ('d', ['2.4Hz'], '1H', 6.55, 6.55), ('brs', [], '1H', 5.91, 5.91), ('s', [], '3H', 3.89, 3.89), ('s', [], '3H', 3.71, 3.71), ('s', [], '3H', 1.72, 1.72), ('s', [], '3H', 1.67, 1.67)] | 23 | 12 | 23 |
10.1021_acs.orglett.4c00647 | CC#Cc1cc(Cl)ccc1-c1ccccc1C=C(C)C | 8 | 8 | [0.14719315 0.49765627 0.240259 0.57578127] | [0.17177137 0.48984377 0.85609524 0.61328125] | 1H NMR | 300 MHz | CDCl3 | 7.48-7.46 (m, 1H), 7.36-7.23 (m, 5H), 7.11 (d, J = 8.5 Hz, 1H), 5.96 (bs, 1H), 1.84 (s, 3H), 1.77 (s, 3H), 1.74 (m, 3H) | null | [('m', [], '1H', 7.48, 7.46), ('m', [], '5H', 7.36, 7.23), ('d', ['8.5Hz'], '1H', 7.11, 7.11), ('brs', [], '1H', 5.96, 5.96), ('s', [], '3H', 1.84, 1.84), ('s', [], '3H', 1.77, 1.77), ('m', [], '3H', 1.74, 1.74)] | 17 | 10 | 17 |
10.1021_acs.orglett.4c00647 | CC#Cc1cc(Cl)ccc1-c1ccccc1C=C(C)C | 8 | 8 | [0.14719315 0.49765627 0.240259 0.57578127] | [0.17177137 0.48984377 0.85609524 0.61328125] | 13C NMR | 75 MHz | CDCl3 | 142.4 (C), 139.3 (C), 137.5 (C), 135.4 (C), 132.4 (C), 132.1 (CH), 131.6 (CH), 131.0 (CH), 129.8 (CH), 127.3 (2 x CH), 5.8 (CH), 125.3 (C), 124.3 (CH), 89.9 (C), 78.1 (C), 26.3 (CH3), 19.5 (CH3), 4.5 (CH3) | null | [(142.4, None, None), (139.3, None, None), (137.5, None, None), (135.4, None, None), (132.4, None, None), (132.1, None, None), (131.6, None, None), (131.0, None, None), (129.8, None, None), (127.3, None, None), (5.8, None, None), (125.3, None, None), (124.3, None, None), (89.9, None, None), (78.1, None, None), (26.3, N... | 19 | 18 | 18 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C#CC)c(C=C(C)C)c1 | 8 | 8 | [0.1481597 0.66718754 0.2395686 0.74375006] | [0.26400872 0.66093753 0.85609524 0.74062501] | 1H NMR | 300 MHz | CDCl3 | 7.467-7.44 (m, 1H), 7.27-7.21 (m, 3H), 7.17-7.13 (m, 1H), 6.86-6.81 (m, 2H), 5.96 (bs, 1H), 3.86 (s, 3H), 1.86 (s, 3H), 1.74 (s, 3H), 1.73 (s, 3H) | null | [('m', [], '1H', 7.47, 7.44), ('m', [], '3H', 7.27, 7.21), ('m', [], '1H', 7.17, 7.13), ('m', [], '2H', 6.86, 6.81), ('brs', [], '1H', 5.96, 5.96), ('s', [], '3H', 3.86, 3.86), ('s', [], '3H', 1.86, 1.86), ('s', [], '3H', 1.74, 1.74), ('s', [], '3H', 1.73, 1.73)] | 20 | 11 | 20 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C#CC)c(C=C(C)C)c1 | 8 | 8 | [0.1481597 0.66718754 0.2395686 0.74375006] | [0.26400872 0.66093753 0.85609524 0.74062501] | 13C NMR | 75 MHz | CDCl3 | 158.3 (C), 143.5 (C), 138.7 (C), 135.1 (C), 133.2 (C), 132.3 (CH), 131.2 (CH), 130.6 (CH), 126.9 (CH), 126.5 (CH), 124.6 (CH),123.8 (C), 115.0 (CH), 111.1 (CH), 88.3 (C), 79.4 (C), 55.4 (CH3), 26.4 (CH3), 19.7 (CH3), 4.7 (CH3) | null | [(158.3, None, None), (143.5, None, None), (138.7, None, None), (135.1, None, None), (133.2, None, None), (132.3, None, None), (131.2, None, None), (130.6, None, None), (126.9, None, None), (126.5, None, None), (124.6, None, None), (123.8, None, None), (115.0, None, None), (111.1, None, None), (88.3, None, None), (79.4... | 20 | 19 | 20 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C=C(C)C)c(C#CC)c1 | 9 | 9 | [0.14898819 0.11103516 0.2409494 0.18896486] | [0.23970666 0.10507813 0.85388599 0.13300782] | 1H NMR | 300 MHz | CDCl3 | 7.34-7.22 (m, 4H), 7.09 (d, J = 8.4 Hz, 1H), 7.02 (d, J = 2.7 Hz, 1H), 6.85 (dd, J = 8.4, 2.7 Hz, 1H), 5.97 (bs, 1H), 3.84 (s, 3H), 1.85 (s, 3H), 1.76 (d, J = 1.5 Hz, 3H), 1.75 (d, J = 1.4 Hz, 3H) | null | [('m', [], '4H', 7.34, 7.22), ('d', ['8.4Hz'], '1H', 7.09, 7.09), ('d', ['2.7Hz'], '1H', 7.02, 7.02), ('dd', ['8.4Hz', '2.7Hz'], '1H', 6.85, 6.85), ('brs', [], '1H', 5.97, 5.97), ('s', [], '3H', 3.84, 3.84), ('s', [], '3H', 1.85, 1.85), ('d', ['1.5Hz'], '3H', 1.76, 1.76), ('d', ['1.4Hz'], '3H', 1.75, 1.75)] | 20 | 11 | 20 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(-c2ccccc2C=C(C)C)c(C#CC)c1 | 9 | 9 | [0.14898819 0.11103516 0.2409494 0.18896486] | [0.23970666 0.10507813 0.85388599 0.13300782] | 13C NMR | 75 MHz | CDCl3 | 158.0 (C), 140.1 (C), 137.7 (C), 136.5 (C), 134.6 (C), 131.4 (CH), 130.5 (CH), 129.6 (CH), 126.6 (CH), 125.6 (CH), 124.7 (CH), 124.4 (C), 116.6 (CH), 113.8 (CH), 88.3 (C), 79.3 (C), 55.4 (CH3), 26.4 (CH3), 19.7 (CH3), 4.6 (CH3) | null | [(158.0, None, None), (140.1, None, None), (137.7, None, None), (136.5, None, None), (134.6, None, None), (131.4, None, None), (130.5, None, None), (129.6, None, None), (126.6, None, None), (125.6, None, None), (124.7, None, None), (124.4, None, None), (116.6, None, None), (113.8, None, None), (88.3, None, None), (79.3... | 20 | 19 | 20 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(C#CC)c(-c2cc(Cl)ccc2C=C(C)C)c(OC)c1C | 9 | 9 | [0.1488501 0.29687502 0.2745028 0.37695316] | [0.29963334 0.28945314 0.85609524 0.38515626] | 1H NMR | 300 MHz | CDCl3 | 7.30-7.20 (m, 3H), 6.75 (s, 1H), 5.91 (bs, 1H), 3.84 (s, 3H), 3.30 (s, 3H), 2.16 (s, 3H), 1.79 (s, 3H), 1.75 (s, 3H), 1.73 (s, 3H) | null | [('m', [], '3H', 7.3, 7.2), ('s', [], '1H', 6.75, 6.75), ('brs', [], '1H', 5.91, 5.91), ('s', [], '3H', 3.84, 3.84), ('s', [], '3H', 3.3, 3.3), ('s', [], '3H', 2.16, 2.16), ('s', [], '3H', 1.79, 1.79), ('s', [], '3H', 1.75, 1.75), ('s', [], '3H', 1.73, 1.73)] | 23 | 10 | 23 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(C#CC)c(-c2cc(Cl)ccc2C=C(C)C)c(OC)c1C | 9 | 9 | [0.1488501 0.29687502 0.2745028 0.37695316] | [0.29963334 0.28945314 0.85609524 0.38515626] | 13C NMR | 75 MHz | CDCl3 | 157.7 (C), 156.5 (C), 138.8 (C), 137.0 (C), 135.6 (C), 131.0 (C), 130.7 (2 x CH), 129.0 (C), 126.8 (CH), 123.7 (CH), 122.3 (C), 120.3 (C), 109.5 (CH), 88.1 (C), 78.8 (C), 60.1 (CH3), 55.7 (CH3), 26.5 (CH3), 19.6 (CH3), 9.3 (CH3), 4.4 (CH3) | null | [(157.7, None, None), (156.5, None, None), (138.8, None, None), (137.0, None, None), (135.6, None, None), (131.0, None, None), (130.7, None, None), (129.0, None, None), (126.8, None, None), (123.7, None, None), (122.3, None, None), (120.3, None, None), (109.5, None, None), (88.1, None, None), (78.8, None, None), (60.1,... | 22 | 21 | 21 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccc(Cl)cc1 | 10 | 10 | [0.14194611 0.53203128 0.27671208 0.60234378] | [0.26511338 0.52890627 0.85609524 0.60859379] | 1H NMR | 300 MHz | CDCl3 | 7.61 (dd, J = 7.5, 1.5 Hz, 1H), 7.53 (dd, J = 7.7, 1.2 Hz, 1H), 7.49 (dd, J = 7.5, 1.5 Hz, 1H), 7.43 (d, J = 8.7 Hz, 2H), 7.41-7.34 (m, 2H), 7.29-7.23 (m, 1H), 7.22-7.16 (m, 3H), 7.10 (dd, J = 7.7, 1.2 Hz, 1H), 4.15 (s, 1H), 2.25 (AB system, J = 13.4 Hz, 2H), 1.38 (s, 3H), 1.17 (s, 3H) | null | [('dd', ['7.5Hz', '1.5Hz'], '1H', 7.61, 7.61), ('dd', ['7.7Hz', '1.2Hz'], '1H', 7.53, 7.53), ('dd', ['7.5Hz', '1.5Hz'], '1H', 7.49, 7.49), ('d', ['8.7Hz'], '2H', 7.43, 7.43), ('m', [], '2H', 7.41, 7.34), ('m', [], '1H', 7.29, 7.23), ('m', [], '3H', 7.22, 7.16), ('dd', ['7.7Hz', '1.2Hz'], '1H', 7.1, 7.1), ('s', [], '1H'... | 21 | 13 | 21 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccc(Cl)cc1 | 10 | 10 | [0.14194611 0.53203128 0.27671208 0.60234378] | [0.26511338 0.52890627 0.85609524 0.60859379] | 13C NMR | 75 MHz | CDCl3 | 198.8 (C=O), 140.8 (C), 140.2 (C), 138.8 (C), 138.0 (C), 136.5 (C), 135.8 (C), 129.9 (3 x CH), 128.8 (CH), 128.7 (2 x CH), 128.1 (CH), 127.7 (CH), 127.61 (2 x CH), 127.58 (CH), 127.4 (CH), 56.1 (CH), 48.7 (CH2), 46.0 (C), 25.8 (CH3), 23.8 (CH3) | null | [(198.8, None, None), (140.8, None, None), (140.2, None, None), (138.8, None, None), (138.0, None, None), (136.5, None, None), (135.8, None, None), (129.9, None, None), (128.8, None, None), (128.7, None, None), (128.1, None, None), (127.7, None, None), (127.61, None, None), (127.58, None, None), (127.4, None, None), (5... | 24 | 21 | 20 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccccc1Cl | 10 | 10 | [0.15105939 0.75078128 0.26345641 0.82421882] | [0.28692998 0.74609382 0.85499062 0.82578131] | 1H NMR | 300 MHz | CDCl3 | 7.49-7.41 (m, 3H), 7.40-7.28 (m, 4H), 7.23-7.16 (m, 3H), 7.12-7.04 (m, 2H), 4.19 (s, 1H), 2.25 (d, J = 13.2 Hz, 1H), 2.17 (d, J = 13.2 Hz, 1H), 1.32 (s, 3H), 1.19 (s, 3H) | null | [('m', [], '3H', 7.49, 7.41), ('m', [], '4H', 7.4, 7.28), ('m', [], '3H', 7.23, 7.16), ('m', [], '2H', 7.12, 7.04), ('s', [], '1H', 4.19, 4.19), ('d', ['13.2Hz'], '1H', 2.25, 2.25), ('d', ['13.2Hz'], '1H', 2.17, 2.17), ('s', [], '3H', 1.32, 1.32), ('s', [], '3H', 1.19, 1.19)] | 21 | 15 | 21 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccccc1Cl | 10 | 10 | [0.15105939 0.75078128 0.26345641 0.82421882] | [0.28692998 0.74609382 0.85499062 0.82578131] | 13C NMR | 75 MHz | CDCl3 | 202.5 (C=O), 141.2 (C), 140.6 (C), 140.4 (C), 137.7 (C), 135.0 (C), 131.5 (CH), 130.9 (CH), 129.6 (CH), 129.3 (CH), 128.7 (CH), 127.9 (CH), 127.8 (CH), 127.4 (2 x CH), 127.3 (CH), 127.2 (CH), 126.7 (CH), 59.1 (CH), 48.4 (CH2), 47.0 (C), 26.1 (CH3), 23.8 (CH3) | null | [(202.5, None, None), (141.2, None, None), (140.6, None, None), (140.4, None, None), (137.7, None, None), (135.0, None, None), (131.5, None, None), (130.9, None, None), (129.6, None, None), (129.3, None, None), (128.7, None, None), (127.9, None, None), (127.8, None, None), (127.4, None, None), (127.3, None, None), (127... | 24 | 23 | 22 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccccc1Br | 11 | 11 | [0.14332691 0.10820313 0.25434313 0.18320313] | [0.27284583 0.10488282 0.85609524 0.18388673] | 1H NMR | 300 MHz | CDCl3 | 7.54-7.43 (m, 4H), 7.41-7.29 (m, 4H), 7.22 (dd, J = 7.3, 1.5 Hz, 1H), 7.14-7.02 (m, 3H), 4.19 (s, 1H), 2.25 (d, J = 13.1 Hz, 1H), 2.17 (d, J = 13.1 Hz, 1H), 1.32 (s, 3H), 1.19 (s, 3H) | null | [('m', [], '4H', 7.54, 7.43), ('m', [], '4H', 7.41, 7.29), ('dd', ['7.3Hz', '1.5Hz'], '1H', 7.22, 7.22), ('m', [], '3H', 7.14, 7.02), ('s', [], '1H', 4.19, 4.19), ('d', ['13.1Hz'], '1H', 2.25, 2.25), ('d', ['13.1Hz'], '1H', 2.17, 2.17), ('s', [], '3H', 1.32, 1.32), ('s', [], '3H', 1.19, 1.19)] | 21 | 15 | 21 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccccc1Br | 11 | 11 | [0.14332691 0.10820313 0.25434313 0.18320313] | [0.27284583 0.10488282 0.85609524 0.18388673] | 13C NMR | 75 MHz | CDCl3 | 202.7 (C=O), 142.2 (C), 141.0 (C), 140.2 (C), 137.6 (C), 135.0 (C), 134.2 (CH), 131.5 (CH), 129.5 (CH), 129.3 (CH), 128.6 (CH), 127.8 (CH), 127.7 (CH), 127.4 (2 x CH), 127.3 (CH), 127.2 (2 x CH), 119.6 (C), 58.8 (CH), 48.5 (CH2), 47.1 (C), 26.3 (CH3), 23.8 (CH3) | null | [(202.7, None, None), (142.2, None, None), (141.0, None, None), (140.2, None, None), (137.6, None, None), (135.0, None, None), (134.2, None, None), (131.5, None, None), (129.5, None, None), (129.3, None, None), (128.6, None, None), (127.8, None, None), (127.7, None, None), (127.4, None, None), (127.3, None, None), (127... | 24 | 23 | 22 |
10.1021_acs.orglett.4c00647 | O(C)c1cccc(C(=O)C2c3ccccc3-c3ccccc3CC2(C)C)c1 | 11 | 11 | [0.1529925 0.30917971 0.28278759 0.37558596] | [0.30847045 0.30351564 0.85609524 0.38320314] | 1H NMR | 300 MHz | CDCl3 | 7.58 (dd, J = 7.4, 1.5 Hz, 1H), 7.52 (dd, J = 7.6, 1.4 Hz, 1H), 7.49-7.43 (m, 1H), 7.42-7.33 (m, 2H), 7.31-7.24 (m, 1H), 7.24-7.19 (m, 1H), 7.17-7.11 (m, 2H), 7.09 (dd, J = 7.9, 0.9 Hz, 1H), 7.01 (dd, J = 7.7, 1.4 Hz, 1H), 6.94-6.88 (m, 1H), 4.21 (s, 1H), 3.69 (s, 3H), 2.25 (AB system, J = 13.2 Hz, 2H), 1.38 (s, 3H), 1... | null | [('dd', ['7.4Hz', '1.5Hz'], '1H', 7.58, 7.58), ('dd', ['7.6Hz', '1.4Hz'], '1H', 7.52, 7.52), ('m', [], '1H', 7.49, 7.43), ('m', [], '2H', 7.42, 7.33), ('m', [], '1H', 7.31, 7.24), ('m', [], '1H', 7.24, 7.19), ('m', [], '2H', 7.17, 7.11), ('dd', ['7.9Hz', '0.9Hz'], '1H', 7.09, 7.09), ('dd', ['7.7Hz', '1.4Hz'], '1H', 7.0... | 24 | 16 | 24 |
10.1021_acs.orglett.4c00647 | O(C)c1cccc(C(=O)C2c3ccccc3-c3ccccc3CC2(C)C)c1 | 11 | 11 | [0.1529925 0.30917971 0.28278759 0.37558596] | [0.30847045 0.30351564 0.85609524 0.38320314] | 13C NMR | 75 MHz | CDCl3 | 199.8 (C=O), 159.5 (C), 140.8 (C), 140.3 (C), 139.5 (C), 138.1 (C), 136.2 (C), 129.8 (CH), 129.4 (CH), 128.6 (CH), 128.0 (CH), 127.7 (CH), 127.6 (2 x CH), 127.5 (CH), 127.3 (CH), 121.1 (CH), 119.5 (CH), 112.4 (CH), 56.1 (CH), 55.2 (CH3), 48.8 (CH2), 46.0 (C), 25.8 (CH3), 23.8 (CH3) | null | [(199.8, None, None), (159.5, None, None), (140.8, None, None), (140.3, None, None), (139.5, None, None), (138.1, None, None), (136.2, None, None), (129.8, None, None), (129.4, None, None), (128.6, None, None), (128.0, None, None), (127.7, None, None), (127.6, None, None), (127.5, None, None), (127.3, None, None), (121... | 25 | 24 | 24 |
10.1021_acs.orglett.4c00647 | Cc1ccc(C(=O)C2c3ccccc3-c3ccccc3CC2(C)C)cc1 | 11 | 11 | [0.14802163 0.53945314 0.27726439 0.60507815] | [0.30129029 0.53437504 0.85609524 0.61406253] | 1H NMR | 300 MHz | CDCl3 | 7.59 (d, J = 7.4 Hz, 1H), 7.53-7.45 (m, 2H), 7.44-7.37 (m, 3H), 7.34 (d, J = 7.2 Hz, 1H), 7.29-7.22 (m, 1H), 7.22-7.13 (m, 2H), 7.02 (d, J = 8.3 Hz, 2H), 4.20 (s, 1H), 2.27 (s, 3H), 2.23 (AB system, J = 13.2 Hz, 2H), 1.37 (s, 3H), 1.15 (s, 3H) | null | [('d', ['7.4Hz'], '1H', 7.59, 7.59), ('m', [], '2H', 7.53, 7.45), ('m', [], '3H', 7.44, 7.37), ('d', ['7.2Hz'], '1H', 7.34, 7.34), ('m', [], '1H', 7.29, 7.22), ('m', [], '2H', 7.22, 7.13), ('d', ['8.3Hz'], '2H', 7.02, 7.02), ('s', [], '1H', 4.2, 4.2), ('s', [], '3H', 2.27, 2.27), ('AB', ['13.2Hz'], '2H', 2.23, 2.23), (... | 24 | 14 | 24 |
10.1021_acs.orglett.4c00647 | Cc1ccc(C(=O)C2c3ccccc3-c3ccccc3CC2(C)C)cc1 | 11 | 11 | [0.14802163 0.53945314 0.27726439 0.60507815] | [0.30129029 0.53437504 0.85609524 0.61406253] | 13C NMR | 75 MHz | CDCl3 | 199.8 (C=O), 143.2 (C), 140.8 (C), 140.4 (C), 138.1 (C), 136.3 (C), 135.8 (C), 129.8 (CH), 129.1 (2 x CH), 128.6 (CH), 128.5 (2 x CH), 127.9 (CH), 127.7 (CH), 127.6 (CH), 127.5 (CH), 127.4 (CH), 127.3 (CH), 55.7 (CH), 48.8 (CH2), 46.0 (C), 25.9 (CH3), 23.9 (CH3), 21.6 (CH3) | null | [(199.8, None, None), (143.2, None, None), (140.8, None, None), (140.4, None, None), (138.1, None, None), (136.3, None, None), (135.8, None, None), (129.8, None, None), (129.1, None, None), (128.6, None, None), (128.5, None, None), (127.9, None, None), (127.7, None, None), (127.6, None, None), (127.5, None, None), (127... | 25 | 22 | 23 |
10.1021_acs.orglett.4c00647 | Cc1ccc(C(=O)C2c3ccccc3-c3ccccc3CC2(C)C)cc1 | 11 | 11 | [0.14802163 0.53945314 0.27726439 0.60507815] | [0.30129029 0.53437504 0.85609524 0.61406253] | 13C NMR | 75 MHz | CDCl3 | 204.6 (C=O), 140.9 (C), 140.4 (C), 138.3 (C), 137.9 (C), 135.9 (C), 134.0 (C), 132.2 (CH), 130.3 (C), 129.7 (CH), 128.8 (CH), 128.6 (CH), 127.9 (2 x CH), 127.8 (2 x CH), 127.5 (CH), 127.4 (CH), 127.32 (CH), 127 | null | [(204.6, None, None), (140.9, None, None), (140.4, None, None), (138.3, None, None), (137.9, None, None), (135.9, None, None), (134.0, None, None), (132.2, None, None), (130.3, None, None), (129.7, None, None), (128.8, None, None), (128.6, None, None), (127.9, None, None), (127.8, None, None), (127.5, None, None), (127... | 25 | 22 | 18 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1cccc2ccccc12 | 11 | 11 | [0.14912627 0.75468753 0.26787497 0.83437501] | [0.28306376 0.75078128 0.85609524 0.84453128] | 1H NMR | 300 MHz | CDCl3 | 8.53 (d, J = 8.5 Hz, 1H), 7.79-7.74 (m, 2H), 7.57-7.30 (m, 8H), 7.27-7.15 (m, 4H), 4.34 (s, 1H), 2.31 (d, J = 13.1 Hz, 1H), 2.21 (d, J = 13.1 Hz, 1H), 1.43 (s, 3H), 1.19 (s, 3H) | null | [('d', ['8.5Hz'], '1H', 8.53, 8.53), ('m', [], '2H', 7.79, 7.74), ('m', [], '8H', 7.57, 7.3), ('m', [], '4H', 7.27, 7.15), ('s', [], '1H', 4.34, 4.34), ('d', ['13.1Hz'], '1H', 2.31, 2.31), ('d', ['13.1Hz'], '1H', 2.21, 2.21), ('s', [], '3H', 1.43, 1.43), ('s', [], '3H', 1.19, 1.19)] | 24 | 18 | 24 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccc2ccccc2c1 | 12 | 12 | [0.1488501 0.10957032 0.28527302 0.17753907] | [0.30791814 0.10468751 0.85609524 0.18437501] | 1H NMR | 400 MHz | CDCl3 | 7.86 (s, 1H), 7.65 (d, J = 8.2 Hz, 1H), 7.61-7.55 (m, 4H), 7.47-7.38 (m, 3H), 7.36-7.30 (m, 2H), 7.28-7.17 (m, 2H), 7.13-7.10 (m, 2H), 4.30 (s, 1H), 2.22 (d, J = 13.1 Hz, 1H), 2.16 (d, J = 13.1 Hz, 1H), 1.34 (s, 3H), 1.12 (s, 3H) | null | [('s', [], '1H', 7.86, 7.86), ('d', ['8.2Hz'], '1H', 7.65, 7.65), ('m', [], '4H', 7.61, 7.55), ('m', [], '3H', 7.47, 7.38), ('m', [], '2H', 7.36, 7.3), ('m', [], '2H', 7.28, 7.17), ('m', [], '2H', 7.13, 7.1), ('s', [], '1H', 4.3, 4.3), ('d', ['13.1Hz'], '1H', 2.22, 2.22), ('d', ['13.1Hz'], '1H', 2.16, 2.16), ('s', [], ... | 24 | 18 | 24 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccccc2-c2ccccc2C1C(=O)c1ccc2ccccc2c1 | 12 | 12 | [0.1488501 0.10957032 0.28527302 0.17753907] | [0.30791814 0.10468751 0.85609524 0.18437501] | 13C NMR | 100 MHz | CDCl3 | 200.0 (C=O), 140.9 (C), 140.5 (C), 138.1 (C), 136.3 (C), 135.5 (C), 135.2 (C), 132.4 (C), 130.2 (CH), 129.9 (CH), 129.7 (CH), 128.7 (CH), 128.3 (CH), 128.2 (CH), 128.0 (CH), 127.69 (2 x CH), 127.65 (CH), 127.60 (CH), 127.5 (CH), 127.4 (CH), 126.6 (CH), 124.3 (CH), 56.0 (CH), 48.8 (CH2), 46.1 (C), 25.9 (CH3), 23.9 (CH3) | null | [(200.0, None, None), (140.9, None, None), (140.5, None, None), (138.1, None, None), (136.3, None, None), (135.5, None, None), (135.2, None, None), (132.4, None, None), (130.2, None, None), (129.9, None, None), (129.7, None, None), (128.7, None, None), (128.3, None, None), (128.2, None, None), (128.0, None, None), (127... | 28 | 27 | 27 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccc(Cl)cc2-c2ccccc2C1C(=O)c1ccccc1 | 12 | 12 | [0.15078323 0.32695315 0.2888631 0.3933594 ] | [0.31206053 0.32148438 0.85664758 0.4011719 ] | 1H NMR | 300 MHz | CDCl3 | 7.59 (d, J = 2.2 Hz, 1H), 7.52-7.47 (m, 3H), 7.41-7.31 (m, 3H), 7.28-7.22 (m, 3H), 7.22-7.13 (m, 2H), 4.18 (s, 1H), 2.20 (bs, 2H), 1.36 (s, 3H), 1.14 (s, 3H) | null | [('d', ['2.2Hz'], '1H', 7.59, 7.59), ('m', [], '3H', 7.52, 7.47), ('m', [], '3H', 7.41, 7.31), ('m', [], '3H', 7.28, 7.22), ('m', [], '2H', 7.22, 7.13), ('s', [], '1H', 4.18, 4.18), ('brs', [], '2H', 2.2, 2.2), ('s', [], '3H', 1.36, 1.36), ('s', [], '3H', 1.14, 1.14)] | 21 | 13 | 21 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccc(Cl)cc2-c2ccccc2C1C(=O)c1ccccc1 | 12 | 12 | [0.15078323 0.32695315 0.2888631 0.3933594 ] | [0.31206053 0.32148438 0.85664758 0.4011719 ] | 13C NMR | 75 MHz | CDCl3 | 199.8 (C=O), 142.0 (C), 139.6 (C), 138.2 (C), 136.5 (C), 136.1 (C), 132.9 (C), 132.6 (CH), 131.1 (CH), 128.7 (CH), 128.5 (2 x CH), 128.4 (2 x CH), 128.1 (CH), 127.9 (CH), 127.8 (CH), 127.7 (CH), 127.6 (CH), 55.7 (CH), 48.1 (CH2), 46.1 (C), 25.8 (CH3), 23.9 (CH3) | null | [(199.8, None, None), (142.0, None, None), (139.6, None, None), (138.2, None, None), (136.5, None, None), (136.1, None, None), (132.9, None, None), (132.6, None, None), (131.1, None, None), (128.7, None, None), (128.5, None, None), (128.4, None, None), (128.1, None, None), (127.9, None, None), (127.8, None, None), (127... | 24 | 21 | 22 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccc(F)cc2-c2ccccc2C1C(=O)c1ccccc1 | 12 | 12 | [0.14636467 0.72812506 0.27643591 0.79687507] | [0.29852869 0.72421881 0.85664758 0.80390629] | 1H NMR | 300 MHz | CDCl3 | 7.56-7.52 (m, 2H), 7.49 (dd, J = 7.5, 1.4 Hz, 1H), 7.42-7.31 (m, 3H), 7.29-7.18 (m, 5H), 7.08 (td, J = 8.5, 2.7 Hz, 1H), 4.22 (s, 1H), 2.21 (s, 2H), 1.38 (s, 3H), 1.16 (s, 3H) | null | [('m', [], '2H', 7.56, 7.52), ('dd', ['7.5Hz', '1.4Hz'], '1H', 7.49, 7.49), ('m', [], '3H', 7.42, 7.31), ('m', [], '5H', 7.29, 7.18), ('td', ['8.5Hz', '2.7Hz'], '1H', 7.08, 7.08), ('s', [], '1H', 4.22, 4.22), ('s', [], '2H', 2.21, 2.21), ('s', [], '3H', 1.38, 1.38), ('s', [], '3H', 1.16, 1.16)] | 21 | 13 | 21 |
10.1021_acs.orglett.4c00647 | CC1(C)Cc2ccc(F)cc2-c2ccccc2C1C(=O)c1ccccc1 | 12 | 12 | [0.14636467 0.72812506 0.27643591 0.79687507] | [0.29852869 0.72421881 0.85664758 0.80390629] | 19F NMR | 283 MHz | CDCl3 | -115.9 (m) | null | [(-115.9, None, None)] | 1 | 1 | 1 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)CC(C)(C)C(C(=O)c1ccccc1)c1ccccc1-2 | 13 | 13 | [0.15105939 0.11250001 0.27256968 0.19453126] | [0.28913927 0.10488282 0.85719987 0.20058595] | 1H NMR | 300 MHz | CDCl3 | 7.57-7.44 (m, 4H), 7.38-7.30 (m, 2H), 7.27-7.10 (m, 4H), 6.99 (dd, J = 8.4, 2.6 Hz, 1H), 6.83 (d, J = 2.7 Hz, 1H), 4.24 (s, 1H), 3.89 (s, 3H), 2.26 (d, J = 13.1 Hz, 1H), 2.16 (d, J = 13.1 Hz, 1H), 1.37 (s, 3H), 1.17 (s, 3H) | null | [('m', [], '4H', 7.57, 7.44), ('m', [], '2H', 7.38, 7.3), ('m', [], '4H', 7.27, 7.1), ('dd', ['8.4Hz', '2.6Hz'], '1H', 6.99, 6.99), ('d', ['2.7Hz'], '1H', 6.83, 6.83), ('s', [], '1H', 4.24, 4.24), ('s', [], '3H', 3.89, 3.89), ('d', ['13.1Hz'], '1H', 2.26, 2.26), ('d', ['13.1Hz'], '1H', 2.16, 2.16), ('s', [], '3H', 1.37... | 24 | 14 | 24 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)CC(C)(C)C(C(=O)c1ccccc1)c1ccccc1-2 | 13 | 13 | [0.15105939 0.11250001 0.27256968 0.19453126] | [0.28913927 0.10488282 0.85719987 0.20058595] | 13C NMR | 75 MHz | CDCl3 | 200.2 (C=O), 159.4 (C), 140.6 (C), 139.5 (C), 138.3 (C), 135.9 (C), 132.9 (C), 132.5 (CH), 128.8 (CH), 128.5 (CH), 128.4 (4 x CH), 127.6 (CH), 127.3 (CH), 127.0 (CH), 115.6 (CH), 112.2 (CH), 55.9 (CH3), 55.5 (CH), 49.1 (CH2), 45.8 (C), 26.1 (CH3), 23.9 (CH3) | null | [(200.2, None, None), (159.4, None, None), (140.6, None, None), (139.5, None, None), (138.3, None, None), (135.9, None, None), (132.9, None, None), (132.5, None, None), (128.8, None, None), (128.5, None, None), (128.4, None, None), (127.6, None, None), (127.3, None, None), (127.0, None, None), (115.6, None, None), (112... | 25 | 22 | 22 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c2c(c1)C(C(=O)c1ccccc1)C(C)(C)Cc1ccccc1-2 | 13 | 13 | [0.14940243 0.33046876 0.29190087 0.40703128] | [0.31454596 0.3203125 0.85609524 0.41640626] | 1H NMR | 300 MHz | CDCl3 | 7.72 (dd, J = 7.6, 1.2 Hz, 1H), 7.55-7.51 (m, 2H), 7.43-7.30 (m, 3H), 7.27-7.21 (m, 3H), 6.50 (bs, 1H), 6.32 (bs, 1H), 4.06 (s, 1H), 3.79 (s, 3H), 3.71 (s, 3H), 2.28 (d, J = 12.7 Hz, 1H), 2.16 (d, J = 12.7 Hz, 1H),1.36 (s, 3H), 1.10 (s, 3H) | null | [('dd', ['7.6Hz', '1.2Hz'], '1H', 7.72, 7.72), ('m', [], '2H', 7.55, 7.51), ('m', [], '3H', 7.43, 7.3), ('m', [], '3H', 7.27, 7.21), ('brs', [], '1H', 6.5, 6.5), ('brs', [], '1H', 6.32, 6.32), ('s', [], '1H', 4.06, 4.06), ('s', [], '3H', 3.79, 3.79), ('s', [], '3H', 3.71, 3.71), ('d', ['12.7Hz'], '1H', 2.28, 2.28), ('d... | 26 | 14 | 26 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c2c(c1)C(C(=O)c1ccccc1)C(C)(C)Cc1ccccc1-2 | 13 | 13 | [0.14940243 0.33046876 0.29190087 0.40703128] | [0.31454596 0.3203125 0.85609524 0.41640626] | 13C NMR | 75 MHz | CDCl3 | 200.2 (C=O), 159.6 (C), 157.4 (C), 138.3 (C), 138.4 (C), 138.3 (C), 135.5 (C), 132.2 (CH), 130.4 (CH), 129.7 (CH), 128.4 (2 x CH), 128.3 (2 x CH), 127.2 (CH), 126.1 (CH), 120.8 (C), 104.5 (CH), 97.7 (CH), 56.0 (CH), 55.7 (CH3), 55.5 (CH3), 48.7 (CH2), 45.5 (C), 25.7 (CH3), 24.2 (CH3) | null | [(200.2, None, None), (159.6, None, None), (157.4, None, None), (138.3, None, None), (138.4, None, None), (138.3, None, None), (135.5, None, None), (132.2, None, None), (130.4, None, None), (129.7, None, None), (128.4, None, None), (128.3, None, None), (127.2, None, None), (126.1, None, None), (120.8, None, None), (104... | 26 | 23 | 24 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c2c(c1)C(C(=O)c1ccccc1)C(C)(C)Cc1ccc(Cl)cc1-2 | 13 | 13 | [0.14967859 0.56328128 0.29052007 0.63984379] | [0.26428489 0.5542969 0.85609524 0.6484375 ] | 1H NMR | 500 MHz | CDCl3 | 7.72 (d, J = 2.3 Hz, 1H), 7.56-7.52 (m, 2H), 7.42-7.37 (m, 1H), 7.30-7.25 (m, 3H), 7.17 (d, J = 8.0 Hz, 1H), 6.49 (d, J = 2.3 Hz, 1H), 6.32 (d, J = 2.3 Hz, 1H), 4.02 (s, 1H), 3.82 (s, 3H), 3.72 (s, 3H), 2.23 (d, J = 13.0 Hz, 1H), 2.15 (d, J = 13.0 Hz, 1H), 1.36 (s, 3H), 1.09 (s, 3H) | null | [('d', ['2.3Hz'], '1H', 7.72, 7.72), ('m', [], '2H', 7.56, 7.52), ('m', [], '1H', 7.42, 7.37), ('m', [], '3H', 7.3, 7.25), ('d', ['8.0Hz'], '1H', 7.17, 7.17), ('d', ['2.3Hz'], '1H', 6.49, 6.49), ('d', ['2.3Hz'], '1H', 6.32, 6.32), ('s', [], '1H', 4.02, 4.02), ('s', [], '3H', 3.82, 3.82), ('s', [], '3H', 3.72, 3.72), ('... | 25 | 13 | 25 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c2c(c1)C(C(=O)c1ccccc1)C(C)(C)Cc1ccc(Cl)cc1-2 | 13 | 13 | [0.14967859 0.56328128 0.29052007 0.63984379] | [0.26428489 0.5542969 0.85609524 0.6484375 ] | 13C NMR | 125 MHz | CDCl3 | 199.9 (C), 160.1 (C), 157.4 (C), 138.8 (C), 138.3 (C), 137.3 (C), 136.9 (C), 132.6 (CH), 131.8 (C), 130.8 (CH), 130.3 (CH), 128.5 (2 x CH), 128.3 (2 x CH), 127.2 (CH), 119.5 (C), 104.7 (CH), 97.7 (CH), 55.9 (CH), 55.8 (CH3), 55.5 (CH3), 48.1 (CH2), 45.5 (C), 25.6 (CH3), 24.2 (CH3) | null | [(199.9, None, None), (160.1, None, None), (157.4, None, None), (138.8, None, None), (138.3, None, None), (137.3, None, None), (136.9, None, None), (132.6, None, None), (131.8, None, None), (130.8, None, None), (130.3, None, None), (128.5, None, None), (128.3, None, None), (127.2, None, None), (119.5, None, None), (104... | 26 | 23 | 24 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccc(Cl)cc2)cc1OC | 14 | 14 | [0.14443155 0.30214845 0.29079621 0.3994141 ] | [0.31426979 0.29921876 0.85940918 0.40859376] | 1H NMR | 300 MHz | CDCl3 | 7.53 (dd, J = 7.6, 1.4 Hz, 1H), 7.47-7.40 (m, 2H), 7.37-7.29 (m, 3H), 7.26-7.17 (m, 2H), 7.09 (dd, J = 8.3, 2.3 Hz, 1H), 7.02-6.90 (m, 2H), 6.64 (dd, J = 8.3, 2.1 Hz, 1H), 6.44 (d, J = 8.3 Hz, 1H), 6.14 (dd, J = 8.3, 2.0 Hz, 1H), 6.02 (d, J = 2.0 Hz, 1H), 3.70 (s, 3H), 3.60 (s, 3H), 2.75 (d, J = 12.9 Hz, 1H), 2.12 (d, ... | null | [('dd', ['7.6Hz', '1.4Hz'], '1H', 7.53, 7.53), ('m', [], '2H', 7.47, 7.4), ('m', [], '3H', 7.37, 7.29), ('m', [], '2H', 7.26, 7.17), ('dd', ['8.3Hz', '2.3Hz'], '1H', 7.09, 7.09), ('m', [], '2H', 7.02, 6.9), ('dd', ['8.3Hz', '2.1Hz'], '1H', 6.64, 6.64), ('d', ['8.3Hz'], '1H', 6.44, 6.44), ('dd', ['8.3Hz', '2.0Hz'], '1H'... | 29 | 17 | 29 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccc(Cl)cc2)cc1OC | 14 | 14 | [0.14443155 0.30214845 0.29079621 0.3994141 ] | [0.31426979 0.29921876 0.85940918 0.40859376] | 13C NMR | 75 MHz | CDCl3 | 147.6 (C), 146.9 (C), 146.7 (C), 143.0 (C), 142.3 (C), 141.5 (C), 141.0 (C), 140.6 (C), 138.5 (C), 137.6 (C), 132.53 (CH), 132.45 (C), 131.6 (CH), 130.2 (CH), 129.6 (CH), 128.7 (CH), 127.6 (CH), 127.32 (CH), 127.29 (CH), 127.23 (3 x CH), 126.7 (CH), 122.2 (CH), 112.8 (CH), 110.0 (CH), 55.7 (CH3), 55.6 (CH3), 50.1 (CH2)... | null | [(147.6, None, None), (146.9, None, None), (146.7, None, None), (143.0, None, None), (142.3, None, None), (141.5, None, None), (141.0, None, None), (140.6, None, None), (138.5, None, None), (137.6, None, None), (132.53, None, None), (132.45, None, None), (131.6, None, None), (130.2, None, None), (129.6, None, None), (1... | 32 | 29 | 30 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(/C(=C2\c3ccc(Cl)cc3-c3ccccc3CC2(C)C)c2ccccc2)cc1OC | 15 | 15 | [0.14967859 0.12558594 0.28527302 0.22304689] | [0.30874659 0.12031251 0.85664758 0.16464844] | 1H NMR | 300 MHz | CDCl3 | 7.55-7.42 (m, 3H), 7.41-7.31 (m, 3H), 7.23-7.17 (m, 2H), 7.11 (td, J = 7.5, 1.6 Hz, 1H), 6.97 (dd, J = 8.5, 2.6 Hz, 1H), 6.91 (d, J = 6.9 Hz, 1H), 6.71-6.68 (m, 1H), 6.46 (d, J = 8.4 Hz, 1H), 6.18 (dd, J = 8.4, 2.0 Hz, 1H), 6.06 (d, J = 2.0 Hz, 1H), 3.72 (s, 3H), 3.63 (s, 3H), 2.72 (d, J = 12.8 Hz, 1H), 2.13 (d, J = 12... | null | [('m', [], '3H', 7.55, 7.42), ('m', [], '3H', 7.41, 7.31), ('m', [], '2H', 7.23, 7.17), ('td', ['7.5Hz', '1.6Hz'], '1H', 7.11, 7.11), ('dd', ['8.5Hz', '2.6Hz'], '1H', 6.97, 6.97), ('d', ['6.9Hz'], '1H', 6.91, 6.91), ('m', [], '1H', 6.71, 6.68), ('d', ['8.4Hz'], '1H', 6.46, 6.46), ('dd', ['8.4Hz', '2.0Hz'], '1H', 6.18, ... | 29 | 17 | 29 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(/C(=C2\c3ccc(Cl)cc3-c3ccccc3CC2(C)C)c2ccccc2)cc1OC | 15 | 15 | [0.14967859 0.12558594 0.28527302 0.22304689] | [0.30874659 0.12031251 0.85664758 0.16464844] | 13C NMR | 75 MHz | CDCl3 | 147.6 (C), 146.7 (C), 145.0 (C), 144.1 (C), 143.2 (C), 142.4 (C), 141.1 (C), 139.9 (C), 138.6 (C), 137.7 (C), 133.9 (CH), 132.8 (C), 130.0 (CH), 129.7 (CH), 128.8 (CH), 128.3 (CH), 127.8 (CH), 127.5 (CH), 127.3 (CH), 127.13 (CH), 127.07 (CH), 126.7 (CH), 126.6 (CH), 122.1 (CH), 112.7 (CH), 110.1 (CH), 55.8 (CH3), 55.6 ... | null | [(147.6, None, None), (146.7, None, None), (145.0, None, None), (144.1, None, None), (143.2, None, None), (142.4, None, None), (141.1, None, None), (139.9, None, None), (138.6, None, None), (137.7, None, None), (133.9, None, None), (132.8, None, None), (130.0, None, None), (129.7, None, None), (128.8, None, None), (128... | 32 | 29 | 32 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)CC(C)(C)C(=C(c1ccccc1)c1ccc(OC)c(OC)c1)c1ccccc1-2 | 15 | 15 | [0.14332691 0.39882814 0.26538952 0.51289067] | [0.24909611 0.39492189 0.85664758 0.52109377] | 1H NMR | 300 MHz | CDCl3 | 7.54-7.42 (m, 2H), 7.35 (t, J = 7.5 Hz, 1H), 7.30-7.08 (m, 4H), 7.00-6.92 (m, 3H), 6.77 (d, J = 3.0 Hz, 1H), 6.73 (d, J = 7.4 Hz, 1H), 6.43 (d, J = 8.4 Hz, 1H), 6.18 (dd, J = 8.4, 2.0 Hz, 1H), 6.05 (d, J = 2.0 Hz, 1H), 3.87 (s, 3H), 3.69 (s, 3H), 3.60 (s, 3H), 2.75 (d, J = 12.3 Hz, 1H), 2.08 (d, J = 12.3 Hz, 1H), 1.39 ... | null | [('m', [], '2H', 7.54, 7.42), ('t', ['7.5Hz'], '1H', 7.35, 7.35), ('m', [], '4H', 7.3, 7.08), ('m', [], '3H', 7.0, 6.92), ('d', ['3.0Hz'], '1H', 6.77, 6.77), ('d', ['7.4Hz'], '1H', 6.73, 6.73), ('d', ['8.4Hz'], '1H', 6.43, 6.43), ('dd', ['8.4Hz', '2.0Hz'], '1H', 6.18, 6.18), ('d', ['2.0Hz'], '1H', 6.05, 6.05), ('s', []... | 32 | 18 | 32 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)CC(C)(C)C(=C(c1ccccc1)c1ccc(OC)c(OC)c1)c1ccccc1-2 | 15 | 15 | [0.14332691 0.39882814 0.26538952 0.51289067] | [0.24909611 0.39492189 0.85664758 0.52109377] | 13C NMR | 75 MHz | CDCl3 | 158.8 (C), 147.5 (C), 146.5 (C), 146.2 (C), 144.5 (C), 142.4 (C), 141.7 (C), 141.3 (C), 140.1 (C), 138.2 (C), 133.9 (C), 132.7 (CH), 130.3 (CH), 129.0 (CH), 128.3 (CH), 127.7 (CH), 127.4 (CH), 127.2 (CH), 126.9 (CH), 126.7 (CH), 126.5 (CH), 122.2 (CH), 115.3 (CH), 112.9 (CH), 112.2 (CH), 109.9 (CH), 55.7 (CH3), 55.6 (C... | null | [(158.8, None, None), (147.5, None, None), (146.5, None, None), (146.2, None, None), (144.5, None, None), (142.4, None, None), (141.7, None, None), (141.3, None, None), (140.1, None, None), (138.2, None, None), (133.9, None, None), (132.7, None, None), (130.3, None, None), (129.0, None, None), (128.3, None, None), (127... | 33 | 30 | 33 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c2c(c1)/C(=C(/c1ccccc1)c1ccc(OC)c(OC)c1)C(C)(C)Cc1ccccc1-2 | 15 | 15 | [0.14470771 0.67578132 0.28582536 0.77265629] | [0.30570885 0.67187507 0.85609524 0.78281256] | 1H NMR | 300 MHz | CDCl3 | 7.69 (d, J = 7.6 Hz, 1H), 7.48 (d, J = 7.6 Hz, 1H), 7.41-7.32 (m, 2H), 7.29-7.16 (m, 3H), 7.11 (td, J = 7.2, 1.3 Hz, 1H), 6.72-6.63 (m, 1H), 6.49 (d, J = 8.1 Hz, 1H), 6.37 (d, J = 2.5 Hz, 1H), 6.32-6.21 (m, 2H), 6.16 (d, J = 2.5 Hz, 1H), 3.75 (s, 3H), 3.73 (s, 3H), 3.69 (s, 3H), 3.62 (s, 3H), 2.77 (d, J = 12.5 Hz, 1H),... | null | [('d', ['7.6Hz'], '1H', 7.69, 7.69), ('d', ['7.6Hz'], '1H', 7.48, 7.48), ('m', [], '2H', 7.41, 7.32), ('m', [], '3H', 7.29, 7.16), ('td', ['7.2Hz', '1.3Hz'], '1H', 7.11, 7.11), ('m', [], '1H', 6.72, 6.63), ('d', ['8.1Hz'], '1H', 6.49, 6.49), ('d', ['2.5Hz'], '1H', 6.37, 6.37), ('m', [], '2H', 6.32, 6.21), ('d', ['2.5Hz... | 34 | 18 | 34 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c2c(c1)/C(=C(/c1ccccc1)c1ccc(OC)c(OC)c1)C(C)(C)Cc1ccccc1-2 | 15 | 15 | [0.14470771 0.67578132 0.28582536 0.77265629] | [0.30570885 0.67187507 0.85609524 0.78281256] | 13C NMR | 75 MHz | CDCl3 | 159.0 (C), 156.2 (C), 147.6 (C), 146.7 (C), 146.3 (C), 145.0 (C), 144.3 (C), 141.1 (C), 139.0 (C), 138.2 (C), 136.2 (C), 130.1 (CH), 129.6 (CH), 129.5 (CH), 128.8 (CH), 128.2 (CH), 127.4 (CH), 126.5 (CH), 126.4 (CH), 125.8 (CH), 122.2 (C), 121.9 (CH), 112.5 (CH), 110.0 (CH), 109.5 (CH), 97.7 (CH), 55.9 (CH3), 55.73 (CH... | null | [(159.0, None, None), (156.2, None, None), (147.6, None, None), (146.7, None, None), (146.3, None, None), (145.0, None, None), (144.3, None, None), (141.1, None, None), (139.0, None, None), (138.2, None, None), (136.2, None, None), (130.1, None, None), (129.6, None, None), (129.5, None, None), (128.8, None, None), (128... | 34 | 31 | 34 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c(OC)c1 | 16 | 16 | [0.14995474 0.12285157 0.26456104 0.22128907] | [0.29134855 0.11992189 0.85609524 0.23125001] | 13C NMR | 75 MHz | CDCl3 | 159.2 (C), 157.4 (C), 146.8 (C), 143.2 (C), 142.9 (C), 141.4 (C), 140.4 (C), 139.4 (C), 138.6 (C), 130.4 (CH), 129.9 (CH), 129.43 (CH), 129.42 (CH), 129.38 (CH), 128.4 (C), 127.2 (CH), 127.1 (CH), 127.04 (CH), 127.01 (CH), 127.00 (CH), 126.9 (CH), 126.69 (CH), 126.68 (CH), 125.9 (CH), 103.8 (CH), 98.4 (CH), 55.3 (CH3),... | null | [(159.2, None, None), (157.4, None, None), (146.8, None, None), (143.2, None, None), (142.9, None, None), (141.4, None, None), (140.4, None, None), (139.4, None, None), (138.6, None, None), (130.4, None, None), (129.9, None, None), (129.43, None, None), (129.42, None, None), (129.38, None, None), (128.4, None, None), (... | 32 | 29 | 32 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c(OC)c1 | 16 | 16 | [0.14332691 0.44062501 0.25489544 0.54531251] | [0.27615977 0.42812501 0.85609524 0.55546878] | 1H NMR | 300 MHz | CDCl3 | 7.57 (dt, J = 7.7, 1.4 Hz, 1H), 7.49-7.46 (m, 1H), 7.39 (dd, J = 7.3, 1.3 Hz, 1H), 7.36-7.31 (m, 1H), 7.29-7.18 (m, 3H), 7.17-7.06 (m, 3H), 7.05-6.99 (m, 1H), 6.98-6.91 (m, 2H), 5.82 (d, J = 2.2 Hz, 1H), 5.68 (d, J = 2.2 Hz, 1H), 3.78 (s, 3H), 3.64 (s, 3H), 3.35 (s, 3H), 2.68 (d, J = 12.6 Hz, 1H), 2.06 (d, J = 12.6 Hz,... | null | [('dt', ['7.7Hz', '1.4Hz'], '1H', 7.57, 7.57), ('m', [], '1H', 7.49, 7.46), ('dd', ['7.3Hz', '1.3Hz'], '1H', 7.39, 7.39), ('m', [], '1H', 7.36, 7.31), ('m', [], '3H', 7.29, 7.18), ('m', [], '3H', 7.17, 7.06), ('m', [], '1H', 7.05, 6.99), ('m', [], '2H', 6.98, 6.91), ('d', ['2.2Hz'], '1H', 5.82, 5.82), ('d', ['2.2Hz'], ... | 32 | 16 | 32 |
10.1021_acs.orglett.4c00647 | O(C)c1cc(OC)c(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c(OC)c1 | 16 | 16 | [0.14332691 0.44062501 0.25489544 0.54531251] | [0.27615977 0.42812501 0.85609524 0.55546878] | 13C NMR | 75 MHz | CDCl3 | 159.5 (C), 157.9 (C), 155.6 (C), 147.5 (C), 144.4 (C), 142.3 (C), 141.5 (C), 139.6 (C), 138.3 (C), 132.6 (C), 130.1 (CH), 129.3 (CH), 129.2 (CH), 128.9 (CH), 127.5 (CH), 127.4 (CH), 127.3 (CH), 126.8 (CH), 126.7 (CH), 126.5 (CH), 126.1 (CH), 125.8 (CH), 125.7 (CH), 116.4 (C), 89.8 (CH), 89.6 (CH), 55.4 (CH3), 55.2 (2 x... | null | [(159.5, None, None), (157.9, None, None), (155.6, None, None), (147.5, None, None), (144.4, None, None), (142.3, None, None), (141.5, None, None), (139.6, None, None), (138.3, None, None), (132.6, None, None), (130.1, None, None), (129.3, None, None), (129.2, None, None), (128.9, None, None), (127.5, None, None), (127... | 33 | 27 | 32 |
10.1021_acs.orglett.4c00647 | Cc1cc(C)c(C(=C2c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c(C)c1 | 17 | 17 | [0.1488501 0.62890625 0.25959018 0.72890626] | [0.28692998 0.62187503 0.85719987 0.73359379] | 1H NMR | 300 MHz | CDCl3 | 7.76 (dt, J = 7.6, 1.7 Hz, 1H), 7.54 (dd, J = 7.6, 1.4 Hz, 1H), 7.37 (td, J = 7.5, 1.4 Hz, 1H), 7.33-7.20 (m, 3H), 7.17-7.08 (m, 4H), 7.05 (td, J = 7.4, 1.5 Hz, 1H), 6.98-6.90 (m, 1H), 6.84-6.74 (m, 1H), 6.53 (bs, 1H), 6.48 (bs, 1H), 2.73 (d, J = 12.7 Hz, 1H), 2.36 (s, 3H), 2.09 (d, J = 12.7 Hz, 1H), 2.04 (s, 3H), 1.80... | null | [('dt', ['7.6Hz', '1.7Hz'], '1H', 7.76, 7.76), ('dd', ['7.6Hz', '1.4Hz'], '1H', 7.54, 7.54), ('td', ['7.5Hz', '1.4Hz'], '1H', 7.37, 7.37), ('m', [], '3H', 7.33, 7.2), ('m', [], '4H', 7.17, 7.08), ('td', ['7.4Hz', '1.5Hz'], '1H', 7.05, 7.05), ('m', [], '1H', 6.98, 6.9), ('m', [], '1H', 6.84, 6.74), ('brs', [], '1H', 6.5... | 32 | 16 | 32 |
10.1021_acs.orglett.4c00647 | Cc1cc(C)c(C(=C2c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c(C)c1 | 17 | 17 | [0.1488501 0.62890625 0.25959018 0.72890626] | [0.28692998 0.62187503 0.85719987 0.73359379] | 13C NMR | 75 MHz | CDCl3 | 147.3 (C), 143.3 (C), 141.7 (C), 141.1 (C), 141.0 (C), 139.5 (C), 138.9 (C), 138.2 (C), 135.9 (C), 134.8 (C), 133.9 (C), 130.22 (CH), 130.18 (CH), 129.4 (CH), 128.8 (CH), 128.4 (CH), 128.3 (CH), 128.2 (CH), 128.1 (CH), 128.0 (CH), 127.0 (CH), 126.9 (CH), 126.73 (CH), 126.67 (CH), 126.3 (CH), 126.2 (CH), 50.7 (CH2), 49.... | null | [(147.3, None, None), (143.3, None, None), (141.7, None, None), (141.1, None, None), (141.0, None, None), (139.5, None, None), (138.9, None, None), (138.2, None, None), (135.9, None, None), (134.8, None, None), (133.9, None, None), (130.22, None, None), (130.18, None, None), (129.4, None, None), (128.8, None, None), (1... | 33 | 27 | 33 |
10.1021_acs.orglett.4c00647 | Cc1ccc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)s1 | 18 | 18 | [0.14719315 0.12519532 0.26207561 0.20878907] | [0.28554919 0.11972657 0.85664758 0.21582033] | 1H NMR | 300 MHz | CDCl3 | 7.61 (d, J = 7.5 Hz, 1H), 7.46-7.31 (m, 5H), 7.29 (d, J = 6.7 Hz, 1H), 7.25 (d, J = 7.2 Hz, 1H), 7.22-7.13 (m, 4H), 6.81 (d, J = 7.6 Hz, 1H), 6.17 (d, J = 2.7 Hz, 1H), 5.70 (d, J = 3.4 Hz, 1H), 2.71 (d, J = 12.8 Hz, 1H), 2.18 (s, 3H), 2.08 (d, J = 12.8 Hz, 1H), 1.34 (s, 3H), 0.65 (s, 3H) | null | [('d', ['7.5Hz'], '1H', 7.61, 7.61), ('m', [], '5H', 7.46, 7.31), ('d', ['6.7Hz'], '1H', 7.29, 7.29), ('d', ['7.2Hz'], '1H', 7.25, 7.25), ('m', [], '4H', 7.22, 7.13), ('d', ['7.6Hz'], '1H', 6.81, 6.81), ('d', ['2.7Hz'], '1H', 6.17, 6.17), ('d', ['3.4Hz'], '1H', 5.7, 5.7), ('d', ['12.8Hz'], '1H', 2.71, 2.71), ('s', [], ... | 26 | 16 | 26 |
10.1021_acs.orglett.4c00647 | Cc1ccc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)s1 | 18 | 18 | [0.14719315 0.12519532 0.26207561 0.20878907] | [0.28554919 0.11972657 0.85664758 0.21582033] | 13C NMR | 75 MHz | CDCl3 | 146.0 (C), 145.4 (C), 144.0 (C), 142.2 (C), 142.1 (C), 140.8 (C), 140.3 (C), 138.4 (C), 135.1 (C), 131.7 (CH), 131.1 (CH), 129.4 (CH), 129.2 (CH), 128.1 (CH), 127.9 (CH), 127.79 (CH), 127.77 (CH), 127.6 (CH), 127.5 (CH), 127.3 (CH), 127.13 (CH), 127.07 (CH), 127.0 (CH), 123.9 (CH), 50.2 (CH2), 49.1 (C), 29.6 (CH3), 27.... | null | [(146.0, None, None), (145.4, None, None), (144.0, None, None), (142.2, None, None), (142.1, None, None), (140.8, None, None), (140.3, None, None), (138.4, None, None), (135.1, None, None), (131.7, None, None), (131.1, None, None), (129.4, None, None), (129.2, None, None), (128.1, None, None), (127.9, None, None), (127... | 29 | 26 | 29 |
10.1021_acs.orglett.4c00647 | CC(=O)n1cc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c2cc(Br)ccc21 | 18 | 18 | [0.14995474 0.67187507 0.26318024 0.76953132] | [0.25572393 0.36875002 0.8555429 0.48593752] | 1H NMR | 500 MHz | CDCl3 | 8.18 (d, J = 8.3 Hz, 1H), 7.72 (d, J = 7.6 Hz, 1H), 7.54 (dd, J = 7.6, 1.4 Hz, 1H), 7.49 (td, J = 7.5, 1.3 Hz, 1H), 7.40 (td, J = 7.6, 1.4 Hz, 1H), 7.36 (dd, J = 7.4, 1.5 Hz, 1H), 7.31 (dd, J = 7.7, 1.3 Hz, 1H), 7.24 (dd, J = 7.4, 1.3 Hz, 1H), 7.23-7.16 (m, 1H), 7.14 (ddd, J = 8.3, 6.2, 2.3 Hz, 1H), 7.07 (ddd, J = 7.5,... | null | [('d', ['8.3Hz'], '1H', 8.18, 8.18), ('d', ['7.6Hz'], '1H', 7.72, 7.72), ('dd', ['7.6Hz', '1.4Hz'], '1H', 7.54, 7.54), ('td', ['7.5Hz', '1.3Hz'], '1H', 7.49, 7.49), ('td', ['7.6Hz', '1.4Hz'], '1H', 7.4, 7.4), ('dd', ['7.4Hz', '1.5Hz'], '1H', 7.36, 7.36), ('dd', ['7.7Hz', '1.3Hz'], '1H', 7.31, 7.31), ('dd', ['7.4Hz', '1... | 28 | 18 | 28 |
10.1021_acs.orglett.4c00647 | CC(=O)n1cc(/C(=C2\c3ccccc3-c3ccccc3CC2(C)C)c2ccccc2)c2cc(Br)ccc21 | 18 | 18 | [0.14995474 0.67187507 0.26318024 0.76953132] | [0.25572393 0.36875002 0.8555429 0.48593752] | 13C NMR | 500 MHz | CDCl3 | 168.3 (C=O), 149.5 (C), 142.9 (C), 142.6 (C), 141.1 (C), 141.0 (C), 138.6 (C), 135.4 (C), 133.7 (C), 130.7 (CH), 130.3 (C), 129.9 (CH), 129.8 (CH), 129.6 (CH), 128.3 (CH), 127.57 (CH), 127.55 (CH), 127.4 (CH), 127.30 (CH), 127.28 (CH), 127.1 (CH), 126.9 (CH), 126.8 (CH), 126.4 (C), 124.6 (CH), 123.4 (CH), 123.3 (CH), 1... | null | [(168.3, None, None), (149.5, None, None), (142.9, None, None), (142.6, None, None), (141.1, None, None), (141.0, None, None), (138.6, None, None), (135.4, None, None), (133.7, None, None), (130.7, None, None), (130.3, None, None), (129.9, None, None), (129.8, None, None), (129.6, None, None), (128.3, None, None), (127... | 34 | 31 | 34 |
10.1021_acs.orglett.4c00647 | CC1C(=O)c2cc(Cl)ccc2-c2ccccc2CC1(C)C | 19 | 19 | [0.14581235 0.75156256 0.23169804 0.82812507] | [0.14912627 0.74765631 0.85609524 0.84296879] | 1H NMR | 300 MHz | CDCl3 | 8.34 (d, J = 2.5 Hz, 1H), 7.51 (dd, J = 8.5, 2.5 Hz, 1H), 7.48-7.37 (m, 3H), 7.26-7.17 (m, 2H), 2.69 (q, J = 6.9 Hz, 1H), 2.63 (d, J = 13.2 Hz, 1H), 2.43 (d, J = 13.2 Hz, 1H), 0.96 (s, 3H), 0.93 (d, J = 6.9 Hz, 3H), 0.93 (s, 3H) | null | [('d', ['2.5Hz'], '1H', 8.34, 8.34), ('dd', ['8.5Hz', '2.5Hz'], '1H', 7.51, 7.51), ('m', [], '3H', 7.48, 7.37), ('m', [], '2H', 7.26, 7.17), ('q', ['6.9Hz'], '1H', 2.69, 2.69), ('d', ['13.2Hz'], '1H', 2.63, 2.63), ('d', ['13.2Hz'], '1H', 2.43, 2.43), ('s', [], '3H', 0.96, 0.96), ('d', ['6.9Hz'], '3H', 0.93, 0.93), ('s'... | 19 | 11 | 19 |
10.1021_acs.orglett.4c00647 | CC1C(=O)c2cc(Cl)ccc2-c2ccccc2CC1(C)C | 19 | 19 | [0.14581235 0.75156256 0.23169804 0.82812507] | [0.14912627 0.74765631 0.85609524 0.84296879] | 13C NMR | 75 MHz | CDCl3 | 201.9 (C=O), 141.1 (C), 139.4 (C), 137.8 (C), 136.8 (C), 135.8 (CH), 134.2 (C), 132.4 (CH), 130.2 (CH), 130.0 (CH), 129.7 (CH), 128.1 (CH), 127.2 (CH), 47.8 (CH), 46.5 (CH2), 39.8 (C), 26.6 (CH3), 23.8 (CH3), 11.4 (CH3) | null | [(201.9, None, None), (141.1, None, None), (139.4, None, None), (137.8, None, None), (136.8, None, None), (135.8, None, None), (134.2, None, None), (132.4, None, None), (130.2, None, None), (130.0, None, None), (129.7, None, None), (128.1, None, None), (127.2, None, None), (47.8, None, None), (46.5, None, None), (39.8,... | 19 | 18 | 19 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)CC(C)(C)C(C)C(=O)c1ccccc1-2 | 20 | 20 | [0.15050707 0.11386719 0.24329674 0.18789064] | [0.26290409 0.10722656 0.8583045 0.20351564] | 13C NMR | 75 MHz | CDCl3 | 203.3 (C=O), 159.2 (C), 141.0 (C), 138.4 (C), 136.6 (C), 134.9 (C), 134.3 (CH), 132.6 (CH), 131.3 (CH), 129.9 (CH), 127.1 (CH), 115.6 (CH), 112.3 (CH), 55.5 (CH3), 47.8 (CH), 46.9 (CH2), 39.6 (C), 26.8 (CH3), 23.9 (CH3), 11.5 (CH3) | null | [(203.3, None, None), (159.2, None, None), (141.0, None, None), (138.4, None, None), (136.6, None, None), (134.9, None, None), (134.3, None, None), (132.6, None, None), (131.3, None, None), (129.9, None, None), (127.1, None, None), (115.6, None, None), (112.3, None, None), (55.5, None, None), (47.8, None, None), (46.9,... | 20 | 19 | 20 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)C(=O)C(C)C(C)(C)Cc1ccccc1-2 | 20 | 20 | [0.14664083 0.33046876 0.2416398 0.40625004] | [0.26290409 0.32421875 0.85609524 0.41953127] | 1H NMR | 300 MHz | CDCl3 | 7.90 (d, J = 2.8 Hz, 1H), 7.47 (dd, J = 7.2, 1.8 Hz, 1H), 7.41-7.31 (m, 2H), 7.27-7.11 (m, 3H), 3.92 (s, 3H), 2.75 (q, J = 6.5 Hz, 1H), 2.69 (d, J = 13.0 Hz, 1H), 2.42 (d, J = 13.0 Hz, 1H), 0.99 (s, 3H), 0.98 (d, J = 6.5 Hz, 3H), 0.95 (s, 3H) | null | [('d', ['2.8Hz'], '1H', 7.9, 7.9), ('dd', ['7.2Hz', '1.8Hz'], '1H', 7.47, 7.47), ('m', [], '2H', 7.41, 7.31), ('m', [], '3H', 7.27, 7.11), ('s', [], '3H', 3.92, 3.92), ('q', ['6.5Hz'], '1H', 2.75, 2.75), ('d', ['13.0Hz'], '1H', 2.69, 2.69), ('d', ['13.0Hz'], '1H', 2.42, 2.42), ('s', [], '3H', 0.99, 0.99), ('d', ['6.5Hz... | 22 | 12 | 22 |
10.1021_acs.orglett.4c00647 | O(C)c1ccc2c(c1)C(=O)C(C)C(C)(C)Cc1ccccc1-2 | 20 | 20 | [0.14664083 0.33046876 0.2416398 0.40625004] | [0.26290409 0.32421875 0.85609524 0.41953127] | 13C NMR | 75 MHz | CDCl3 | 202.8 (C=O), 158.8 (C), 141.9 (C), 137.6 (C), 136.7 (C), 135.8 (CH), 133.8 (C), 130.0 (CH), 129.9 (CH), 127.3 (CH), 126.9 (CH), 120.1 (CH), 112.4 (CH), 55.6 (CH3), 47.6 (CH), 46.7 (CH2), 40.0 (C), 26.6 (CH3), 24.0 (CH3), 11.6 (CH3) | null | [(202.8, None, None), (158.8, None, None), (141.9, None, None), (137.6, None, None), (136.7, None, None), (135.8, None, None), (133.8, None, None), (130.0, None, None), (129.9, None, None), (127.3, None, None), (126.9, None, None), (120.1, None, None), (112.4, None, None), (55.6, None, None), (47.6, None, None), (46.7,... | 20 | 19 | 20 |
10.1021_acs.orglett.4c00647 | O(C)c1cc2c(c(OC)c1C)-c1cc(Cl)ccc1CC(C)(C)C(C)C2=O | 20 | 20 | [0.14415539 0.53242192 0.25296233 0.60976564] | [0.27505511 0.52343754 0.85609524 0.61875006] | 1H NMR | 300 MHz | CDCl3 | 7.68 (s, 1H), 7.51 (d, J = 2.3 Hz, 1H), 7.33 (dd, J = 8.2, 2.3 Hz, 1H), 7.13 (d, J = 8.2 Hz, 1H), 3.93 (s, 3H), 3.00 (s, 3H), 2.66 (d, J = 13.1 Hz, 1H), 2.50 (q, J = 6.7 Hz, 1H), 2.39 (d, J = 13.1 Hz, 1H), 2.21 (s, 3H), 0.93 (s, 3H), 0.92 (d, J = 6.7 Hz, 3H), 0.89 (s, 3H) | null | [('s', [], '1H', 7.68, 7.68), ('d', ['2.3Hz'], '1H', 7.51, 7.51), ('dd', ['8.2Hz', '2.3Hz'], '1H', 7.33, 7.33), ('d', ['8.2Hz'], '1H', 7.13, 7.13), ('s', [], '3H', 3.93, 3.93), ('s', [], '3H', 3.0, 3.0), ('d', ['13.1Hz'], '1H', 2.66, 2.66), ('q', ['6.7Hz'], '1H', 2.5, 2.5), ('d', ['13.1Hz'], '1H', 2.39, 2.39), ('s', []... | 25 | 11 | 25 |
10.1021_acs.orglett.4c00647 | O(C)c1cc2c(c(OC)c1C)-c1cc(Cl)ccc1CC(C)(C)C(C)C2=O | 20 | 20 | [0.14415539 0.53242192 0.25296233 0.60976564] | [0.27505511 0.52343754 0.85609524 0.61875006] | 13C NMR | 75 MHz | CDCl3 | 202.0 (C), 158.1 (C), 157.0 (C), 137.8 (C), 136.5 (C), 136.3 (C), 132.0 (CH), 131.4 (C), 130.2 (CH), 127.5 (CH), 126.6 (C), 126.1 (C), 106.5 (CH), 59.4 (CH3), 55.7 (CH3), 48.3 (CH), 46.0 (CH2), 39.0 (C), 27.0 (CH3), 23.9 (CH3), 11.6 (CH3), 9.9 (CH3) | null | [(202.0, None, None), (158.1, None, None), (157.0, None, None), (137.8, None, None), (136.5, None, None), (136.3, None, None), (132.0, None, None), (131.4, None, None), (130.2, None, None), (127.5, None, None), (126.6, None, None), (126.1, None, None), (106.5, None, None), (59.4, None, None), (55.7, None, None), (48.3,... | 22 | 21 | 22 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C)ccc2C(=O)N1 | 4 | 4 | [0.14470771 0.16171875 0.26870343 0.21875002] | [0.30294725 0.13808594 0.86824626 0.25703126] | 1H NMR | 400 MHz | DMSO-d6 | 8.50 (d, J = 7.3 Hz, 1H), 8.30-8.07 (m, 1H), 7.77 (d, J = 7.8 Hz, 1H), 7.18 (d, J = 7.9 Hz, 1H), 7.12 (s, 1H), 5.76-4.88 (m, 1H), 3.34-3.09 (m, 1H), 2.95-2.80 (m, 1H), 2.34 (s, 3H), 1.75 (s, 3H) | null | [('d', ['7.3Hz'], '1H', 8.5, 8.5), ('m', [], '1H', 8.3, 8.07), ('d', ['7.8Hz'], '1H', 7.77, 7.77), ('d', ['7.9Hz'], '1H', 7.18, 7.18), ('s', [], '1H', 7.12, 7.12), ('m', [], '1H', 5.76, 4.88), ('m', [], '1H', 3.34, 3.09), ('m', [], '1H', 2.95, 2.8), ('s', [], '3H', 2.34, 2.34), ('s', [], '3H', 1.75, 1.75)] | 14 | 9 | 14 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C)ccc2C(=O)N1 | 4 | 4 | [0.14470771 0.16171875 0.26870343 0.21875002] | [0.30294725 0.13808594 0.86824626 0.25703126] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 164.0, 142.1, 136.3, 128.9, 127.6, 127.2, 125.9, 56.1, 33.0, 22.4, 21.1 | null | [(169.0, None, None), (164.0, None, None), (142.1, None, None), (136.3, None, None), (128.9, None, None), (127.6, None, None), (127.2, None, None), (125.9, None, None), (56.1, None, None), (33.0, None, None), (22.4, None, None), (21.1, None, None)] | 12 | 12 | 12 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2ccccc2C(=O)N1 | 4 | 4 | [0.15851569 0.31953126 0.2546193 0.37656252] | [0.30294725 0.29726564 0.86824626 0.4167969 ] | 1H NMR | 400 MHz | DMSO-d6 | 8.53 (d, J = 7.3 Hz, 1H), 8.30 (m,1H), 7.89 (d, J = 7.7 Hz, 1H), 7.56-7.47 (m, 1H), 7.42-7.35 (m, 1H), 7.32 (d, J = 7.5 Hz, 1H), 5.52-5.18 (m, 1H), 3.30-3.18 (m, 1H), 2.95-2.91 (m, 1H), 1.76 (s, 3H) | null | [('d', ['7.3Hz'], '1H', 8.53, 8.53), ('m', [], '1H', 8.3, 8.3), ('d', ['7.7Hz'], '1H', 7.89, 7.89), ('m', [], '1H', 7.56, 7.47), ('m', [], '1H', 7.42, 7.35), ('d', ['7.5Hz'], '1H', 7.32, 7.32), ('m', [], '1H', 5.52, 5.18), ('m', [], '1H', 3.3, 3.18), ('m', [], '1H', 2.95, 2.91), ('s', [], '3H', 1.76, 1.76)] | 12 | 9 | 12 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2ccccc2C(=O)N1 | 4 | 4 | [0.15851569 0.31953126 0.2546193 0.37656252] | [0.30294725 0.29726564 0.86824626 0.4167969 ] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 163.9, 136.4, 132.1, 128.5, 128.4, 127.1, 126.9, 56.0, 33.1, 22.5 | null | [(169.0, None, None), (163.9, None, None), (136.4, None, None), (132.1, None, None), (128.5, None, None), (128.4, None, None), (127.1, None, None), (126.9, None, None), (56.0, None, None), (33.1, None, None), (22.5, None, None)] | 11 | 11 | 11 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cccc(C)c2C(=O)N1 | 4 | 4 | [0.15823954 0.47070316 0.2560001 0.52773439] | [0.30377574 0.45625001 0.86824626 0.55781254] | 1H NMR | 400 MHz | DMSO-d6 | 8.50-8.34 (m, 1H), 8.25-8.09 (m, 1H), 7.45-7.28 (m, 1H), 7.27-6.97 (m, 2H), 5.41-5.15 (m, 1H), 3.24-3.04 (m, 1H), 2.98-2.81 (m, 1H), 2.61 (s, 3H), 1.75 (s, 3H) | null | [('m', [], '1H', 8.5, 8.34), ('m', [], '1H', 8.25, 8.09), ('m', [], '1H', 7.45, 7.28), ('m', [], '2H', 7.27, 6.97), ('m', [], '1H', 5.41, 5.15), ('m', [], '1H', 3.24, 3.04), ('m', [], '1H', 2.98, 2.81), ('s', [], '3H', 2.61, 2.61), ('s', [], '3H', 1.75, 1.75)] | 14 | 9 | 14 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cccc(C)c2C(=O)N1 | 4 | 4 | [0.15823954 0.47070316 0.2560001 0.52773439] | [0.30377574 0.45625001 0.86824626 0.55781254] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 164.8, 139.6, 137.3, 131.0, 130.6, 126.7, 126.6, 55.7, 34.4, 22.5, 22.1 | null | [(169.0, None, None), (164.8, None, None), (139.6, None, None), (137.3, None, None), (131.0, None, None), (130.6, None, None), (126.7, None, None), (126.6, None, None), (55.7, None, None), (34.4, None, None), (22.5, None, None), (22.1, None, None)] | 12 | 12 | 12 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C(C)(C)C)ccc2C(=O)N1 | 4 | 4 | [0.14332691 0.63437506 0.26815112 0.69218753] | [0.30294725 0.59726565 0.86824626 0.73242195] | 1H NMR | 400 MHz | DMSO-d6 | 8.51 (d, J = 7.3 Hz, 1H), 8.39-8.09 (m, 1H), 7.82 (d, J = 8.1 Hz, 1H), 7.41 (d, J = 8.1 Hz, 1H), 7.33 (s, 1H), 5.59-5.07 (m, 1H), 3.32-3.12 (m, 1H), 2.98-2.84 (m, 1H), 1.77 (s, 3H), 1.30 (s, 9H) | null | [('d', ['7.3Hz'], '1H', 8.51, 8.51), ('m', [], '1H', 8.39, 8.09), ('d', ['8.1Hz'], '1H', 7.82, 7.82), ('d', ['8.1Hz'], '1H', 7.41, 7.41), ('s', [], '1H', 7.33, 7.33), ('m', [], '1H', 5.59, 5.07), ('m', [], '1H', 3.32, 3.12), ('m', [], '1H', 2.98, 2.84), ('s', [], '3H', 1.77, 1.77), ('s', [], '9H', 1.3, 1.3)] | 20 | 9 | 20 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C(C)(C)C)ccc2C(=O)N1 | 4 | 4 | [0.14332691 0.63437506 0.26815112 0.69218753] | [0.30294725 0.59726565 0.86824626 0.73242195] | 13C NMR | 101 MHz | DMSO-d6 | 168.9, 163.8, 155.0, 136.1, 126.9, 125.9, 125.0, 123.9, 56.0, 34.7, 33.3, 30.9, 22.5 | null | [(168.9, None, None), (163.8, None, None), (155.0, None, None), (136.1, None, None), (126.9, None, None), (125.9, None, None), (125.0, None, None), (123.9, None, None), (56.0, None, None), (34.7, None, None), (33.3, None, None), (30.9, None, None), (22.5, None, None)] | 15 | 13 | 13 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C)cc(C)c2C(=O)N1 | 4 | 4 | [0.14277459 0.79609379 0.27063657 0.85390626] | [0.30267108 0.77421878 0.86824626 0.89296876] | 1H NMR | 400 MHz | DMSO-d6 | 8.38 (d, J = 7.1 Hz, 1H), 8.17-7.95 (m, 1H), 7.07-6.90 (m, 2H), 5.32-5.11 (m, 1H), 3.19-3.06 (m, 1H), 2.95-2.72 (m, 1H), 2.57 (s, 3H), 2.28 (s, 3H), 1.74 (s, 3H) | null | [('d', ['7.1Hz'], '1H', 8.38, 8.38), ('m', [], '1H', 8.17, 7.95), ('m', [], '2H', 7.07, 6.9), ('m', [], '1H', 5.32, 5.11), ('m', [], '1H', 3.19, 3.06), ('m', [], '1H', 2.95, 2.72), ('s', [], '3H', 2.57, 2.57), ('s', [], '3H', 2.28, 2.28), ('s', [], '3H', 1.74, 1.74)] | 16 | 9 | 16 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C)cc(C)c2C(=O)N1 | 4 | 4 | [0.14277459 0.79609379 0.27063657 0.85390626] | [0.30267108 0.77421878 0.86824626 0.89296876] | 13C NMR | 101 MHz | DMSO-d6 | 168.9, 164.9, 140.8, 139.6, 137.3, 131.3, 127.1, 124.1, 55.7, 34.3, 22.4, 21.9, 20.8 | null | [(168.9, None, None), (164.9, None, None), (140.8, None, None), (139.6, None, None), (137.3, None, None), (131.3, None, None), (127.1, None, None), (124.1, None, None), (55.7, None, None), (34.3, None, None), (22.4, None, None), (21.9, None, None), (20.8, None, None)] | 13 | 13 | 13 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C)c(C)cc2C(=O)N1 | 5 | 5 | [0.14194611 0.13046875 0.27091271 0.18750002] | [0.3032234 0.10800782 0.86769392 0.2263672 ] | 1H NMR | 400 MHz | DMSO-d6 | 8.46 (d, J = 7.3 Hz, 1H), 8.21-7.98 (m, 1H), 7.64 (s, 1H), 7.07 (s, 1H), 5.40-5.26 (m, 1H), 3.29-3.01 (m, 1H), 2.90-2.61 (m, 1H), 2.25 (s, 6H), 1.75 (s, 3H) | null | [('d', ['7.3Hz'], '1H', 8.46, 8.46), ('m', [], '1H', 8.21, 7.98), ('s', [], '1H', 7.64, 7.64), ('s', [], '1H', 7.07, 7.07), ('m', [], '1H', 5.4, 5.26), ('m', [], '1H', 3.29, 3.01), ('m', [], '1H', 2.9, 2.61), ('s', [], '6H', 2.25, 2.25), ('s', [], '3H', 1.75, 1.75)] | 16 | 9 | 16 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(C)c(C)cc2C(=O)N1 | 5 | 5 | [0.14194611 0.13046875 0.27091271 0.18750002] | [0.3032234 0.10800782 0.86769392 0.2263672 ] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 164.1, 140.9, 134.8, 133.7, 129.4, 127.9, 126.1, 56.1, 32.6, 22.4, 19.4, 19.1 | null | [(169.0, None, None), (164.1, None, None), (140.9, None, None), (134.8, None, None), (133.7, None, None), (129.4, None, None), (127.9, None, None), (126.1, None, None), (56.1, None, None), (32.6, None, None), (22.4, None, None), (19.4, None, None), (19.1, None, None)] | 13 | 13 | 13 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2ccc(C)c(C)c2C(=O)N1 | 5 | 5 | [0.14222228 0.29804688 0.27091271 0.35585939] | [0.30267108 0.26640626 0.86714158 0.40156251] | 1H NMR | 400 MHz | DMSO-d6 | 8.38-8.34 (m, 1H), 8.24-8.18 (m, 1H), 7.25 (d, J = 7.6 Hz, 1H), 7.01 (d, J = 7.6 Hz, 1H), 5.40-4.96 (m, 1H), 3.15-3.04 (m, 1H), 2.90-2.79 (m, 1H), 2.55 (s, 3H), 2.26 (s, 3H), 1.74 (s, 3H) | null | [('m', [], '1H', 8.38, 8.34), ('m', [], '1H', 8.24, 8.18), ('d', ['7.6Hz'], '1H', 7.25, 7.25), ('d', ['7.6Hz'], '1H', 7.01, 7.01), ('m', [], '1H', 5.4, 4.96), ('m', [], '1H', 3.15, 3.04), ('m', [], '1H', 2.9, 2.79), ('s', [], '3H', 2.55, 2.55), ('s', [], '3H', 2.26, 2.26), ('s', [], '3H', 1.74, 1.74)] | 16 | 9 | 16 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2ccc(C)c(C)c2C(=O)N1 | 5 | 5 | [0.14222228 0.29804688 0.27091271 0.35585939] | [0.30267108 0.26640626 0.86714158 0.40156251] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 165.2, 138.1, 136.4, 134.7, 132.4, 127.3, 125.7, 55.7, 34.6, 22.5, 20.2, 16.7 | null | [(169.0, None, None), (165.2, None, None), (138.1, None, None), (136.4, None, None), (134.7, None, None), (132.4, None, None), (127.3, None, None), (125.7, None, None), (55.7, None, None), (34.6, None, None), (22.5, None, None), (20.2, None, None), (16.7, None, None)] | 13 | 13 | 13 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(-c3ccccc3)ccc2C(=O)N1 | 5 | 5 | [0.13669908 0.47539065 0.27671208 0.53242192] | [0.30294725 0.44296877 0.86824626 0.58046876] | 1H NMR | 400 MHz | DMSO-d6 | 8.57 (d, J = 7.5 Hz, 1H), 8.44-8.28 (m, 1H), 7.97 (d, J = 8.0 Hz, 1H), 7.80-7.69 (m, 2H), 7.69 (d, J = 8.2 Hz, 1H), 7.65 (s, 1H), 7.57-7.47 (m, 2H), 7.46-7.37 (m, 1H), 5.47-5.39 (m, 1H), 3.34-3.25 (m, 1H), 3.09-2.97 (m, 1H), 1.77 (s, 3H) | null | [('d', ['7.5Hz'], '1H', 8.57, 8.57), ('m', [], '1H', 8.44, 8.28), ('d', ['8.0Hz'], '1H', 7.97, 7.97), ('m', [], '2H', 7.8, 7.69), ('d', ['8.2Hz'], '1H', 7.69, 7.69), ('s', [], '1H', 7.65, 7.65), ('m', [], '2H', 7.57, 7.47), ('m', [], '1H', 7.46, 7.37), ('m', [], '1H', 5.47, 5.39), ('m', [], '1H', 3.34, 3.25), ('m', [],... | 16 | 11 | 16 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(-c3ccccc3)ccc2C(=O)N1 | 5 | 5 | [0.13669908 0.47539065 0.27671208 0.53242192] | [0.30294725 0.44296877 0.86824626 0.58046876] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 163.7, 143.5, 139.2, 137.1, 129.1, 128.2, 127.8, 127.5, 126.9, 126.6, 125.1, 56.0, 33.2, 22.5 | null | [(169.0, None, None), (163.7, None, None), (143.5, None, None), (139.2, None, None), (137.1, None, None), (129.1, None, None), (128.2, None, None), (127.8, None, None), (127.5, None, None), (126.9, None, None), (126.6, None, None), (125.1, None, None), (56.0, None, None), (33.2, None, None), (22.5, None, None)] | 17 | 15 | 15 |
10.1002_ejoc.202001632 | COc1ccc(-c2ccc3c(c2)CC(NC(C)=O)NC3=O)cc1 | 5 | 5 | [0.13007125 0.64023443 0.28306376 0.72226568] | [0.30267108 0.63593754 0.86824626 0.75625001] | 1H NMR | 400 MHz | DMSO-d6 | 8.59-8.52 (m, 1H), 8.38-8.26 (m, 1H), 7.93 (d, J = 8.0 Hz, 1H), 7.76-7.55 (m, 4H), 7.05 (d, J = 8.3 Hz, 2H), 5.51-5.27 (m, 1H), 3.81 (s, 3H), 3.33-3.18 (m, 1H), 3.06-2.87 (m, 1H), 1.77 (s, 3H) | null | [('m', [], '1H', 8.59, 8.52), ('m', [], '1H', 8.38, 8.26), ('d', ['8.0Hz'], '1H', 7.93, 7.93), ('m', [], '4H', 7.76, 7.55), ('d', ['8.3Hz'], '2H', 7.05, 7.05), ('m', [], '1H', 5.51, 5.27), ('s', [], '3H', 3.81, 3.81), ('m', [], '1H', 3.33, 3.18), ('m', [], '1H', 3.06, 2.87), ('s', [], '3H', 1.77, 1.77)] | 18 | 11 | 18 |
10.1002_ejoc.202001632 | COc1ccc(-c2ccc3c(c2)CC(NC(C)=O)NC3=O)cc1 | 5 | 5 | [0.13007125 0.64023443 0.28306376 0.72226568] | [0.30267108 0.63593754 0.86824626 0.75625001] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 163.8, 159.5, 143.2, 137.0, 131.4, 128.1, 127.8, 126.8, 125.9, 124.5, 114.5, 56.0, 55.2, 33.2, 22.5 | null | [(169.0, None, None), (163.8, None, None), (159.5, None, None), (143.2, None, None), (137.0, None, None), (131.4, None, None), (128.1, None, None), (127.8, None, None), (126.8, None, None), (125.9, None, None), (124.5, None, None), (114.5, None, None), (56.0, None, None), (55.2, None, None), (33.2, None, None), (22.5, ... | 18 | 16 | 16 |
10.1002_ejoc.202001632 | COc1ccc2c(c1)CC(NC(C)=O)NC2=O | 5 | 5 | [0.14111764 0.79296882 0.27256968 0.84609376] | [0.30211877 0.79609379 0.86769392 0.88046881] | 1H NMR | 400 MHz | DMSO-d6 | 8.49 (d, J = 7.3 Hz, 1H), 8.13-8.00 (m, 1H), 7.82 (d, J = 8.5 Hz, 1H), 7.03-6.67 (m, 2H), 5.62-5.16 (m, 1H), 3.81 (s, 3H), 3.26-3.09 (m, 1H), 2.90 (dd, J = 16.2, 3.9 Hz, 1H), 1.76 (s, 3H) | null | [('d', ['7.3Hz'], '1H', 8.49, 8.49), ('m', [], '1H', 8.13, 8.0), ('d', ['8.5Hz'], '1H', 7.82, 7.82), ('m', [], '2H', 7.03, 6.67), ('m', [], '1H', 5.62, 5.16), ('s', [], '3H', 3.81, 3.81), ('m', [], '1H', 3.26, 3.09), ('dd', ['16.2Hz', '3.9Hz'], '1H', 2.9, 2.9), ('s', [], '3H', 1.76, 1.76)] | 14 | 9 | 14 |
10.1002_ejoc.202001632 | COc1ccc2c(c1)CC(NC(C)=O)NC2=O | 5 | 5 | [0.14111764 0.79296882 0.27256968 0.84609376] | [0.30211877 0.79609379 0.86769392 0.88046881] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 163.8, 162.1, 138.6, 129.2, 121.3, 112.9 (2C), 56.1, 55.4, 33.4, 22.4 | null | [(169.0, None, None), (163.8, None, None), (162.1, None, None), (138.6, None, None), (129.2, None, None), (121.3, None, None), (112.9, None, None), (56.1, None, None), (55.4, None, None), (33.4, None, None), (22.4, None, None)] | 12 | 12 | 11 |
10.1002_ejoc.202001632 | O(c1ccc2c(c1)CC(NC(C)=O)NC2=O)Cc1ccccc1 | 6 | 6 | [0.14249844 0.19238283 0.27284583 0.2498047 ] | [0.30405188 0.16083985 0.86935094 0.29687502] | 1H NMR | 400 MHz | DMSO-d6 | 8.61-8.35 (m, 1H), 8.16-7.95 (m, 1H), 7.85-7.71 (m, 1H), 7.61-7.23 (m, 5H), 7.06-6.91 (m, 2H), 5.49-5.24 (m, 1H), 5.16 (s, 2H), 3.24-3.12 (m, 1H), 3.00-2.77 (m, 1H), 1.76 (s, 3H) | null | [('m', [], '1H', 8.61, 8.35), ('m', [], '1H', 8.16, 7.95), ('m', [], '1H', 7.85, 7.71), ('m', [], '5H', 7.61, 7.23), ('m', [], '2H', 7.06, 6.91), ('m', [], '1H', 5.49, 5.24), ('s', [], '2H', 5.16, 5.16), ('m', [], '1H', 3.24, 3.12), ('m', [], '1H', 3.0, 2.77), ('s', [], '3H', 1.76, 1.76)] | 18 | 12 | 18 |
10.1002_ejoc.202001632 | O(c1ccc2c(c1)CC(NC(C)=O)NC2=O)Cc1ccccc1 | 6 | 6 | [0.14249844 0.19238283 0.27284583 0.2498047 ] | [0.30405188 0.16083985 0.86935094 0.29687502] | 13C NMR | 101 MHz | DMSO-d6 | 168.9, 163.8, 161.2, 138.5, 136.6, 129.2, 128.5, 128.0, 127.8, 121.4, 113.8, 113.4, 69.4, 56.1, 33.4, 22.4 | null | [(168.9, None, None), (163.8, None, None), (161.2, None, None), (138.5, None, None), (136.6, None, None), (129.2, None, None), (128.5, None, None), (128.0, None, None), (127.8, None, None), (121.4, None, None), (113.8, None, None), (113.4, None, None), (69.4, None, None), (56.1, None, None), (33.4, None, None), (22.4, ... | 18 | 16 | 16 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(Br)ccc2C(=O)N1 | 6 | 6 | [0.14691699 0.36015628 0.26677032 0.41718751] | [0.30267108 0.33710938 0.86824626 0.4558594 ] | 1H NMR | 400 MHz | DMSO-d6 | 8.54 (d, J = 7.4 Hz, 1H), 8.41 (d, J = 4.2 Hz, 1H), 7.80 (d, J = 8.1 Hz, 1H), 7.68-7.50 (m, 2H), 5.48-5.26 (m, 1H), 3.24 (dd, J = 16.6, 5.1 Hz, 1H), 2.97-2.86 (m, 1H), 1.76 (s, 3H) | null | [('d', ['7.4Hz'], '1H', 8.54, 8.54), ('d', ['4.2Hz'], '1H', 8.41, 8.41), ('d', ['8.1Hz'], '1H', 7.8, 7.8), ('m', [], '2H', 7.68, 7.5), ('m', [], '1H', 5.48, 5.26), ('dd', ['16.6Hz', '5.1Hz'], '1H', 3.24, 3.24), ('m', [], '1H', 2.97, 2.86), ('s', [], '3H', 1.76, 1.76)] | 11 | 8 | 11 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(Br)ccc2C(=O)N1 | 6 | 6 | [0.14691699 0.36015628 0.26677032 0.41718751] | [0.30267108 0.33710938 0.86824626 0.4558594 ] | 13C NMR | 101 MHz | DMSO-d6 | 169.0, 163.2, 138.9, 131.1, 129.9, 129.2, 127.8, 125.7, 55.8, 32.7, 22.4 | null | [(169.0, None, None), (163.2, None, None), (138.9, None, None), (131.1, None, None), (129.9, None, None), (129.2, None, None), (127.8, None, None), (125.7, None, None), (55.8, None, None), (32.7, None, None), (22.4, None, None)] | 11 | 11 | 11 |
10.1002_ejoc.202001632 | CC(=O)NC1Cc2cc(I)ccc2C(=O)N1 | 6 | 6 | [0.1502309 0.51953129 0.26290409 0.57734379] | [0.30267108 0.49609379 0.86824626 0.61484381] | 1H NMR | 400 MHz | DMSO-d6 | 8.53 (d, J = 7.4 Hz, 1H), 8.44-8.36 (m, 1H), 7.84-7.67 (m, 2H), 7.67-7.52 (m, 1H), 5.44-5.19 (m, 1H), 3.26-3.11 (m, 1H), 3.02-2.76 (m, 1H), 1.75 (s, 3H) | null | [('d', ['7.4Hz'], '1H', 8.53, 8.53), ('m', [], '1H', 8.44, 8.36), ('m', [], '2H', 7.84, 7.67), ('m', [], '1H', 7.67, 7.52), ('m', [], '1H', 5.44, 5.19), ('m', [], '1H', 3.26, 3.11), ('m', [], '1H', 3.02, 2.76), ('s', [], '3H', 1.75, 1.75)] | 11 | 8 | 11 |
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