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_adsc.202300487 | Cc1ccc(C)c(OCCCC(C)(C)C(=O)n2ccc3ccccc32)c1 | 3 | 3 | [0.14498388 0.15878907 0.3465805 0.22460939] | [0.14084148 0.24726563 0.85940918 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 8.61 (d, J = 7.8 Hz, 1H), 7.81 (d, J = 4.0 Hz, 1H), 7.61 (d, J = 7.8 Hz, 1H), 7.41 (t, J = 7.8 Hz, 1H), 7.33 (t, J = 7.8 Hz, 1H), 7.05 (d, J = 7.2 Hz, 1H), 6.70 (d, J = 7.2 Hz, 1H), 6.66 (t, J = 4.0 Hz, 1H), 6.59 (s, 1H), 3.94 (t, J = 6.0 Hz, 2H), 2.33 (s, 3H), 2.21 (s, 3H), 2.14 (t, J = 8.4 Hz, 2H), 1.86-1.83 (m, 2H),... | null | [('d', ['7.8Hz'], '1H', 8.61, 8.61), ('d', ['4.0Hz'], '1H', 7.81, 7.81), ('d', ['7.8Hz'], '1H', 7.61, 7.61), ('t', ['7.8Hz'], '1H', 7.41, 7.41), ('t', ['7.8Hz'], '1H', 7.33, 7.33), ('d', ['7.2Hz'], '1H', 7.05, 7.05), ('d', ['7.2Hz'], '1H', 6.7, 6.7), ('t', ['4.0Hz'], '1H', 6.66, 6.66), ('s', [], '1H', 6.59, 6.59), ('t'... | 27 | 15 | 27 |
10.1002_adsc.202300487 | CC(C)(C(=O)n1ccc2ccccc21)c1ccccc1 | 4 | 4 | [0.14470771 0.15859376 0.25627624 0.22441407] | [0.13918451 0.24726563 0.85719987 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 8.66 (d, J = 7.8 Hz, 1H), 7.50 (d, J = 7.8 Hz, 1H), 7.42-7.35 (m, 5H), 7.30 (t, J = 6.8 Hz, 1H, overlapped), 7.28 (t, J = 7.8 Hz, 1H), 6.89 (d, J = 3.7 Hz, 1H), 6.31 (d, J = 3.7 Hz, 1H), 1.79 (s, 6H), 13 | null | [('d', ['7.8Hz'], '1H', 8.66, 8.66), ('d', ['7.8Hz'], '1H', 7.5, 7.5), ('m', [], '5H', 7.42, 7.35), ('t', ['6.8Hz'], '1H', 7.3, 7.3), ('t', ['7.8Hz'], '1H', 7.28, 7.28), ('d', ['3.7Hz'], '1H', 6.89, 6.89), ('d', ['3.7Hz'], '1H', 6.31, 6.31), ('s', [], '6H', 1.79, 1.79)] | 17 | 10 | 17 |
10.1002_adsc.202300487 | CC(C(=O)n1ccc2ccccc12)(c1ccccc1)c1ccccc1 | 5 | 5 | [0.14526003 0.15986329 0.25682858 0.24570315] | [0.13918451 0.26796876 0.8583045 0.43203126] | 1H NMR | 600 MHz | CDCl3 | 8.73 (d, J = 7.8 Hz, 1H), 7.52 (d, J = 7.8 Hz, 1H), 7.44-7.39 (m, 9H), 7.36-7.30 (m, 3H), 7.00 (d, J = 3.7 Hz, 1H), 6.30 (d, J = 3.7 Hz, 1H), 2.23 (s, 3H), 13 | null | [('d', ['7.8Hz'], '1H', 8.73, 8.73), ('d', ['7.8Hz'], '1H', 7.52, 7.52), ('m', [], '9H', 7.44, 7.39), ('m', [], '3H', 7.36, 7.3), ('d', ['3.7Hz'], '1H', 7.0, 7.0), ('d', ['3.7Hz'], '1H', 6.3, 6.3), ('s', [], '3H', 2.23, 2.23)] | 19 | 10 | 19 |
10.1002_adsc.202300487 | CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)n1ccc2ccccc12 | 7 | 7 | [0.14650275 0.15878907 0.35845537 0.24550783] | [0.14139379 0.26835939 0.85940918 0.43203126] | 1H NMR | 600 MHz | CDCl3 | 8.58 (d, J = 7.8 Hz, 1H), 8.09 (d, J = 3.5 Hz, 1H), 7.66 (d, J = 8.5 Hz, 2H), 7.63 (d, J = 8.9 Hz, 2H), 7.52 (d, J = 7.8 Hz, 1H), 7.41 (d, J = 8.5 Hz, 2H, overlapped), 7.38 (t, J = 7.8 Hz, 1H), 7.29 (t, J = 7.8 Hz, 1H), 6.92 (d, J = 8.9 Hz, 2H), 6.54 (d, J = 3.5 Hz, 1H), 1.89 (s, 6H), 13 | null | [('d', ['7.8Hz'], '1H', 8.58, 8.58), ('d', ['3.5Hz'], '1H', 8.09, 8.09), ('d', ['8.5Hz'], '2H', 7.66, 7.66), ('d', ['8.9Hz'], '2H', 7.63, 7.63), ('d', ['7.8Hz'], '1H', 7.52, 7.52), ('d', ['8.5Hz'], '2H', 7.41, 7.41), ('t', ['7.8Hz'], '1H', 7.38, 7.38), ('t', ['7.8Hz'], '1H', 7.29, 7.29), ('d', ['8.9Hz'], '2H', 6.92, 6.... | 20 | 11 | 20 |
10.1002_adsc.202300487 | O=C(n1ccc2ccccc12)C1(c2ccc(Cl)cc2)CC1 | 10 | 10 | [0.14691699 0.15996095 0.27947368 0.22246095] | [0.14084148 0.24687501 0.85719987 0.43046878] | 1H NMR | 600 MHz | CDCl3 | 8.48 (d, J = 7.8 Hz, 1H), 7.51 (d, J = 7.8 Hz, 1H), 7.42 (d, J = 3.7 Hz, 1H), 7.37 (t, J = 7.8 Hz, 1H), 7.26 (t, J = 7.8 Hz, 1H), 7.25 (d, J = 8.7 Hz, 2H), 7.15 (d, J = 8.7 Hz, 2H), 6.46 (d, J = 3.7 Hz, 1H), 1.73 (t, J = 6.0 Hz, 2H), 1.39 (t, J = 6.0 Hz, 2H), 13 | null | [('d', ['7.8Hz'], '1H', 8.48, 8.48), ('d', ['7.8Hz'], '1H', 7.51, 7.51), ('d', ['3.7Hz'], '1H', 7.42, 7.42), ('t', ['7.8Hz'], '1H', 7.37, 7.37), ('t', ['7.8Hz'], '1H', 7.26, 7.26), ('d', ['8.7Hz'], '2H', 7.25, 7.25), ('d', ['8.7Hz'], '2H', 7.15, 7.15), ('d', ['3.7Hz'], '1H', 6.46, 6.46), ('t', ['6.0Hz'], '2H', 1.73, 1.... | 14 | 9 | 14 |
10.1002_adsc.202300487 | CC1(C(=O)n2ccc3ccccc32)COC1 | 11 | 11 | [0.14498388 0.15546876 0.23666892 0.22753908] | [0.13918451 0.24726563 0.85719987 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 8.53 (d, J = 7.8 Hz, 1H), 7.58 (d, J = 7.8 Hz, 1H), 7.40 (t, J = 7.8 Hz, 1H), 7.31 (t, J = 7.8 Hz, 1H), 6.72 (d, J = 4.1 Hz, 1H), 6.66 (d, J = 4.1 Hz, 1H), 5.22 (d, J = 6.2 Hz, 2H), 4.57 (d, J = 6.2 Hz, 2H), 1.92 (s, 3H), 13 | null | [('d', ['7.8Hz'], '1H', 8.53, 8.53), ('d', ['7.8Hz'], '1H', 7.58, 7.58), ('t', ['7.8Hz'], '1H', 7.4, 7.4), ('t', ['7.8Hz'], '1H', 7.31, 7.31), ('d', ['4.1Hz'], '1H', 6.72, 6.72), ('d', ['4.1Hz'], '1H', 6.66, 6.66), ('d', ['6.2Hz'], '2H', 5.22, 5.22), ('d', ['6.2Hz'], '2H', 4.57, 4.57), ('s', [], '3H', 1.92, 1.92)] | 13 | 8 | 13 |
10.1002_adsc.202300487 | CC1(C)OCC(C)(C(=O)n2ccc3ccccc32)CO1 | 12 | 12 | [0.14636467 0.15234375 0.2703604 0.23046877] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.52 (d, J = 7.8 Hz, 1H), 7.57 (d, J = 4.1 Hz, 1H), 7.56 (d, J = 7.8 Hz, 1H), 7.37 (t, J = 7.8 Hz, 1H), 7.29 (t, J = 7.8 Hz, 1H), 6.66 (d, J = 4.1 Hz, 1H), 4.41 (d, J = 11.9 Hz, 2H), 3.90 (d, J = 11.9 Hz, 2H), 1.64 (s, 3H), 1.47 (s, 3H), 1.43 (s, 3H), 13 | null | [('d', ['7.8Hz'], '1H', 8.52, 8.52), ('d', ['4.1Hz'], '1H', 7.57, 7.57), ('d', ['7.8Hz'], '1H', 7.56, 7.56), ('t', ['7.8Hz'], '1H', 7.37, 7.37), ('t', ['7.8Hz'], '1H', 7.29, 7.29), ('d', ['4.1Hz'], '1H', 6.66, 6.66), ('d', ['11.9Hz'], '2H', 4.41, 4.41), ('d', ['11.9Hz'], '2H', 3.9, 3.9), ('s', [], '3H', 1.64, 1.64), ('... | 19 | 9 | 19 |
10.1002_adsc.202300487 | C(C12CCC(C(=O)n3ccc4ccccc34)(CC1)CC2)(OC)=O | 13 | 13 | [0.14470771 0.15390625 0.29355781 0.22890626] | [0.14084148 0.24726563 0.85719987 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 8.48 (d, J = 7.8 Hz, 1H), 7.75 (d, J = 3.7 Hz, 1H), 7.55 (d, J = 7.8 Hz, 1H), 7.34 (t, J = 7.8 Hz, 1H), 7.26 (t, J = 7.8 Hz, 1H), 6.62 (d, J = 3.7 Hz, 1H), 3.96 (s, 3H), 2.15 (t, J = 7.2 Hz, 6H), 1.95 (t, J = 7.2 Hz, 6H), 13 | null | [('d', ['7.8Hz'], '1H', 8.48, 8.48), ('d', ['3.7Hz'], '1H', 7.75, 7.75), ('d', ['7.8Hz'], '1H', 7.55, 7.55), ('t', ['7.8Hz'], '1H', 7.34, 7.34), ('t', ['7.8Hz'], '1H', 7.26, 7.26), ('d', ['3.7Hz'], '1H', 6.62, 6.62), ('s', [], '3H', 3.96, 3.96), ('t', ['7.2Hz'], '6H', 2.15, 2.15), ('t', ['7.2Hz'], '6H', 1.95, 1.95)] | 21 | 9 | 21 |
10.1002_adsc.202300487 | O=C(n1ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 | 15 | 15 | [0.14664083 0.15683594 0.25406699 0.22558596] | [0.14028915 0.24726563 0.85719987 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 8.50 (d, J = 7.8 Hz, 1H), 7.93 (d, J = 3.7 Hz, 1H), 7.55 (d, J = 7.8 Hz, 1H), 7.33 (t, J = 7.8 Hz, 1H), 7.27 (t, J = 7.8 Hz, 1H), 6.61 (d, J = 3.7 Hz, 1H), 2.23 (d, J = 2.8 Hz, 6H), 2.16 (s, 3H), 1.82 (t, J = 2.8 Hz, 6H), 13 | null | [('d', ['7.8Hz'], '1H', 8.5, 8.5), ('d', ['3.7Hz'], '1H', 7.93, 7.93), ('d', ['7.8Hz'], '1H', 7.55, 7.55), ('t', ['7.8Hz'], '1H', 7.33, 7.33), ('t', ['7.8Hz'], '1H', 7.27, 7.27), ('d', ['3.7Hz'], '1H', 6.61, 6.61), ('d', ['2.8Hz'], '6H', 2.23, 2.23), ('s', [], '3H', 2.16, 2.16), ('t', ['2.8Hz'], '6H', 1.82, 1.82)] | 21 | 9 | 21 |
10.1002_adsc.202300487 | COc1ccc2c(ccn2C(=O)C(C)(C)Oc2ccccc2)c1 | 16 | 16 | [0.14470771 0.16132813 0.29797637 0.24335938] | [0.14028915 0.26835939 0.8583045 0.45312504] | 1H NMR | 600 MHz | CDCl3 | 8.56 (d, J = 9.1 Hz, 1H), 8.28 (d, J = 3.7 Hz, 1H), 7.20 (t, J = 8.0 Hz, 2H), 7.04 (s, 1H), 7.03 (d, J = 9.1 Hz, 1H), 6.96 (t, J = 8.0 Hz, 1H), 6.87 (d, J = 8.0 Hz, 2H), 6.50 (d, J = 3.7 Hz, 1H), 3.87 (s, 3H), 1.84 (s, 6H), 13 | null | [('d', ['9.1Hz'], '1H', 8.56, 8.56), ('d', ['3.7Hz'], '1H', 8.28, 8.28), ('t', ['8.0Hz'], '2H', 7.2, 7.2), ('s', [], '1H', 7.04, 7.04), ('d', ['9.1Hz'], '1H', 7.03, 7.03), ('t', ['8.0Hz'], '1H', 6.96, 6.96), ('d', ['8.0Hz'], '2H', 6.87, 6.87), ('d', ['3.7Hz'], '1H', 6.5, 6.5), ('s', [], '3H', 3.87, 3.87), ('s', [], '6H... | 19 | 10 | 19 |
10.1002_adsc.202300487 | COc1ccc2c(ccn2C(=O)C(C)(c2ccccc2)c2ccccc2)c1 | 18 | 18 | [0.14443155 0.15410157 0.28278759 0.25058596] | [0.14084148 0.26835939 0.85719987 0.43203126] | 1H NMR | 600 MHz | CDCl3 | 8.58 (d, J = 9.1 Hz, 1H), 7.40-7.37 (m, 8H), 7.33-7.30 (m, 2H), 7.01 (d, J = 9.1 Hz, 1H), 6.97 (s, 1H), 6.93 (d, J = 3.7 Hz, 1H), 6.21 (d, J = 3.7 Hz, 1H), 3.86 (s, 3H), 2.19 (s, 3H), 13 | null | [('d', ['9.1Hz'], '1H', 8.58, 8.58), ('m', [], '8H', 7.4, 7.37), ('m', [], '2H', 7.33, 7.3), ('d', ['9.1Hz'], '1H', 7.01, 7.01), ('s', [], '1H', 6.97, 6.97), ('d', ['3.7Hz'], '1H', 6.93, 6.93), ('d', ['3.7Hz'], '1H', 6.21, 6.21), ('s', [], '3H', 3.86, 3.86), ('s', [], '3H', 2.19, 2.19)] | 21 | 10 | 21 |
10.1002_adsc.202300487 | COc1ccc2c(ccn2C(=O)C2(C)COC(C)(C)OC2)c1 | 19 | 19 | [0.14498388 0.15820312 0.29880486 0.24648439] | [0.14028915 0.26875001 0.8583045 0.45312504] | 1H NMR | 600 MHz | CDCl3 | 8.40 (d, J = 9.1 Hz, 1H), 7.53 (d, J = 3.7 Hz, 1H), 7.01 (s, 1H), 6.96 (d, J = 9.1 Hz, 1H), 6.57 (d, J = 3.7 Hz, 1H), 4.38 (d, J = 12.0 Hz, 2H), 3.87 (d, J = 12.0 Hz, 2H), 3.84 (s, 3H), 1.61 (s, 3H), 1.46 (s, 3H), 1.42 (s, 3H), 13 | null | [('d', ['9.1Hz'], '1H', 8.4, 8.4), ('d', ['3.7Hz'], '1H', 7.53, 7.53), ('s', [], '1H', 7.01, 7.01), ('d', ['9.1Hz'], '1H', 6.96, 6.96), ('d', ['3.7Hz'], '1H', 6.57, 6.57), ('d', ['12.0Hz'], '2H', 4.38, 4.38), ('d', ['12.0Hz'], '2H', 3.87, 3.87), ('s', [], '3H', 3.84, 3.84), ('s', [], '3H', 1.61, 1.61), ('s', [], '3H', ... | 21 | 9 | 21 |
10.1002_adsc.202300487 | CC(C(n1c2ccc(C=O)cc2cc1)=O)(c1ccccc1)c1ccccc1 | 21 | 21 | [0.14526003 0.15400391 0.28389222 0.25078126] | [0.14028915 0.26875001 0.8583045 0.45312504] | 1H NMR | 600 MHz | CDCl3 | 10.1 (s, 1H), 8.77 (d, J = 8.7 Hz, 1H), 8.00 (s, 1H), 7.91 (d, J = 8.7 Hz, 1H), 7.40-7.34 (m, 8H), 7.32 (t, J = 7.3 Hz, 2H), 7.06 (d, J = 4.1 Hz, 1H), 6.37 (t, J = 4.1 Hz, 1H), 2.19 (s, 3H), 13 | null | [('s', [], '1H', 10.1, 10.1), ('d', ['8.7Hz'], '1H', 8.77, 8.77), ('s', [], '1H', 8.0, 8.0), ('d', ['8.7Hz'], '1H', 7.91, 7.91), ('m', [], '8H', 7.4, 7.34), ('t', ['7.3Hz'], '2H', 7.32, 7.32), ('d', ['4.1Hz'], '1H', 7.06, 7.06), ('t', ['4.1Hz'], '1H', 6.37, 6.37), ('s', [], '3H', 2.19, 2.19)] | 19 | 10 | 19 |
10.1002_adsc.202300487 | COC(=O)C12CCC(C(n3c4ccc(C=O)cc4cc3)=O)(CC1)CC2 | 22 | 22 | [0.14553619 0.15937501 0.32310692 0.24414064] | [0.13973684 0.26835939 0.8583045 0.45351564] | 1H NMR | 600 MHz | CDCl3 | 10.0 (s, 1H), 8.54 (d, J = 8.7 Hz, 1H), 8.04 (s, 1H), 7.85 (d, J = 4.1 Hz, 1H), 7.82 (d, J = 8.7 Hz, 1H), 6.70 (d, J = 4.1 Hz, 1H), 3.66 (s, 3H), 2.11 (t, J = 7.2 Hz, 6H), 1.92 (t, J = 7.3 Hz, 6H), 13 | null | [('s', [], '1H', 10.0, 10.0), ('d', ['8.7Hz'], '1H', 8.54, 8.54), ('s', [], '1H', 8.04, 8.04), ('d', ['4.1Hz'], '1H', 7.85, 7.85), ('d', ['8.7Hz'], '1H', 7.82, 7.82), ('d', ['4.1Hz'], '1H', 6.7, 6.7), ('s', [], '3H', 3.66, 3.66), ('t', ['7.2Hz'], '6H', 2.11, 2.11), ('t', ['7.3Hz'], '6H', 1.92, 1.92)] | 21 | 9 | 21 |
10.1002_adsc.202300487 | Cc1cc2ccccc2n1C(=O)C1(C)COC1 | 23 | 23 | [0.14498388 0.15546876 0.23666892 0.22734376] | [0.14028915 0.24726563 0.8583045 0.4292969 ] | 1H NMR | 600 MHz | CDCl3 | 7.43 (t, J = 4.2 Hz, 1H), 7.22-7.19 (m, 2H), 7.05 (d, J = 7.2 Hz, 1H), 6.42 (s, 1H), 4.99 (d, J = 6.5 Hz, 2H), 4.67 (d, J = 6.5 Hz, 2H), 2.60 (s, 3H), 1.98 (s, 3H), 13 | null | [('t', ['4.2Hz'], '1H', 7.43, 7.43), ('m', [], '2H', 7.22, 7.19), ('d', ['7.2Hz'], '1H', 7.05, 7.05), ('s', [], '1H', 6.42, 6.42), ('d', ['6.5Hz'], '2H', 4.99, 4.99), ('d', ['6.5Hz'], '2H', 4.67, 4.67), ('s', [], '3H', 2.6, 2.6), ('s', [], '3H', 1.98, 1.98)] | 15 | 8 | 15 |
10.1002_adsc.202300487 | CCOC(=O)c1cc2ccccc2n1C(=O)C1(C)COC1 | 24 | 24 | [0.14498388 0.15566408 0.25710473 0.22753908] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 7.67 (d, J = 7.8 Hz, 1H), 7.61 (d, J = 7.8 Hz, 1H), 7.44 (t, J = 7.8 Hz, 1H), 7.36 (s, 1H), 7.28 (t, J = 7.8 Hz, 1H), 4.96 (d, J = 6.0 Hz, 2H), 4.39 (d, J = 6.0 Hz, 2H), 4.36 (q, J = 6.9 Hz, 2H), 1.95 (s, 3H), 1.39 (t, J = 6.9 Hz, 3H), 13 | null | [('d', ['7.8Hz'], '1H', 7.67, 7.67), ('d', ['7.8Hz'], '1H', 7.61, 7.61), ('t', ['7.8Hz'], '1H', 7.44, 7.44), ('s', [], '1H', 7.36, 7.36), ('t', ['7.8Hz'], '1H', 7.28, 7.28), ('d', ['6.0Hz'], '2H', 4.96, 4.96), ('d', ['6.0Hz'], '2H', 4.39, 4.39), ('q', ['6.9Hz'], '2H', 4.36, 4.36), ('s', [], '3H', 1.95, 1.95), ('t', ['6... | 17 | 9 | 17 |
10.1002_adsc.202300487 | CCOC(=O)c1cc2ccccc2n1C(=O)C(C)(C)Oc1ccccc1 | 25 | 25 | [0.14470771 0.15625 0.2717412 0.22695314] | [0.14028915 0.24765627 0.8583045 0.43046878] | 1H NMR | 600 MHz | CDCl3 | 7.83 (d, J = 7.9 Hz, 1H), 7.67 (d, J = 7.9 Hz, 1H), 7.44 (t, J = 7.9 Hz, 1H), 7.28 (t, J = 7.9 Hz, 1H), 7.19 (s, 1H), 7.18 (t, J = 7.8 Hz, 2H), 7.04 (t, J = 7.8 Hz, 1H), 6.71 (d, J = 7.8 Hz, 2H), 4.38 (q, J = 6.9 Hz, 2H), 1.72 (s, 6H), 1.33 (s, 3H), 13 | null | [('d', ['7.9Hz'], '1H', 7.83, 7.83), ('d', ['7.9Hz'], '1H', 7.67, 7.67), ('t', ['7.9Hz'], '1H', 7.44, 7.44), ('t', ['7.9Hz'], '1H', 7.28, 7.28), ('s', [], '1H', 7.19, 7.19), ('t', ['7.8Hz'], '2H', 7.18, 7.18), ('t', ['7.8Hz'], '1H', 7.04, 7.04), ('d', ['7.8Hz'], '2H', 6.71, 6.71), ('q', ['6.9Hz'], '2H', 4.38, 4.38), ('... | 21 | 11 | 21 |
10.1002_adsc.202300487 | C(c1cc2ccccc2n1C(=O)C12CCC(C(OC)=O)(CC1)CC2)(OCC)=O | 26 | 26 | [0.14636467 0.15410157 0.29466246 0.22910157] | [0.14028915 0.24726563 0.8583045 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 7.66 (d, J = 7.8 Hz, 1H), 7.33 (t, J = 7.8 Hz, 1H), 7.27 (d, J = 7.8 Hz, 1H, overlapped), 7.25 (s, 1H), 7.18 (t, J = 7.8 Hz, 1H), 4.38 (q, J = 7.3 Hz, 2H), 3.61 (s, 3H), 1.93-1.90 (m, 6H), 1.79-1.76 (m, 6H), 1.39 (t, J = 7.3 Hz, 3H), 13 | null | [('d', ['7.8Hz'], '1H', 7.66, 7.66), ('t', ['7.8Hz'], '1H', 7.33, 7.33), ('d', ['7.8Hz'], '1H', 7.27, 7.27), ('s', [], '1H', 7.25, 7.25), ('t', ['7.8Hz'], '1H', 7.18, 7.18), ('q', ['7.3Hz'], '2H', 4.38, 4.38), ('s', [], '3H', 3.61, 3.61), ('m', [], '6H', 1.93, 1.9), ('m', [], '6H', 1.79, 1.76), ('t', ['7.3Hz'], '3H', 1... | 25 | 10 | 25 |
10.1002_adsc.202300487 | CC(C)(C(=O)n1c2ccccc2c2ccccc12)c1ccccc1 | 28 | 28 | [0.14553619 0.16015625 0.24550602 0.24570315] | [0.14084148 0.26835939 0.85719987 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 7.97 (d, J = 7.8 Hz, 2H), 7.66 (d, J = 7.8 Hz, 2H), 7.50 (d, J = 8.2 Hz, 2H), 7.43 (t, J = 8.2 Hz, 2H), 7.34 (t, J = 7.3 Hz, 1H), 7.30 (t, J = 7.3 Hz, 2H), 7.27 (t, J = 7.3 Hz, 2H), 1.83 (s, 6H), 13 | null | [('d', ['7.8Hz'], '2H', 7.97, 7.97), ('d', ['7.8Hz'], '2H', 7.66, 7.66), ('d', ['8.2Hz'], '2H', 7.5, 7.5), ('t', ['8.2Hz'], '2H', 7.43, 7.43), ('t', ['7.3Hz'], '1H', 7.34, 7.34), ('t', ['7.3Hz'], '2H', 7.3, 7.3), ('t', ['7.3Hz'], '2H', 7.27, 7.27), ('s', [], '6H', 1.83, 1.83)] | 19 | 8 | 19 |
10.1002_adsc.202300487 | CC1(C(=O)n2c3ccccc3c3ccccc23)COC1 | 30 | 30 | [0.1467789 0.15527344 0.23929243 0.22714844] | [0.13973684 0.24726563 0.85719987 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 7.99 (d, J = 7.8 Hz, 2H), 7.85 (d, J = 7.8 Hz, 2H), 7.48 (t, J = 7.8 Hz, 2H), 7.40 (t, J = 7.8 Hz, 2H), 5.08 (d, J = 6.4 Hz, 2H), 4.75 (d, J = 6.4 Hz, 2H), 2.04 (s, 3H), 13 | null | [('d', ['7.8Hz'], '2H', 7.99, 7.99), ('d', ['7.8Hz'], '2H', 7.85, 7.85), ('t', ['7.8Hz'], '2H', 7.48, 7.48), ('t', ['7.8Hz'], '2H', 7.4, 7.4), ('d', ['6.4Hz'], '2H', 5.08, 5.08), ('d', ['6.4Hz'], '2H', 4.75, 4.75), ('s', [], '3H', 2.04, 2.04)] | 15 | 6 | 15 |
10.1002_adsc.202300487 | C(C12CCC(C(=O)n3c4ccccc4c4ccccc34)(CC1)CC2)(OC)=O | 31 | 31 | [0.14664083 0.15371095 0.29466246 0.22929689] | [0.14084148 0.24726563 0.85719987 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 8.03 (d, J = 7.8 Hz, 2H), 7.62 (d, J = 7.8 Hz, 2H), 7.44 (t, J = 7.8 Hz, 2H), 7.32 (t, J = 7.8 Hz, 2H), 3.67 (s, 3H), 2.17 (t, J = 8.0 Hz, 6H), 1.90 (t, J = 8.0 Hz, 6H), 13 | null | [('d', ['7.8Hz'], '2H', 8.03, 8.03), ('d', ['7.8Hz'], '2H', 7.62, 7.62), ('t', ['7.8Hz'], '2H', 7.44, 7.44), ('t', ['7.8Hz'], '2H', 7.32, 7.32), ('s', [], '3H', 3.67, 3.67), ('t', ['8.0Hz'], '6H', 2.17, 2.17), ('t', ['8.0Hz'], '6H', 1.9, 1.9)] | 23 | 7 | 23 |
10.1002_adsc.202300487 | CC1(C)OCC(C)(C(=O)n2c3ccccc3c3ccccc32)CO1 | 32 | 32 | [0.14470771 0.15195314 0.27008423 0.23046877] | [0.13973684 0.24726563 0.85885684 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.03 (d, J = 7.8 Hz, 2H), 7.79 (d, J = 7.8 Hz, 2H), 7.45 (t, J = 7.8 Hz, 2H), 7.35 (t, J = 7.8 Hz, 2H), 4.52 (d, J = 11.5 Hz, 2H), 3.90 (d, J = 11.5 Hz, 2H), 1.60 (s, 3H), 1.40 (s, 3H), 1.13 (s, 3H), 13 | null | [('d', ['7.8Hz'], '2H', 8.03, 8.03), ('d', ['7.8Hz'], '2H', 7.79, 7.79), ('t', ['7.8Hz'], '2H', 7.45, 7.45), ('t', ['7.8Hz'], '2H', 7.35, 7.35), ('d', ['11.5Hz'], '2H', 4.52, 4.52), ('d', ['11.5Hz'], '2H', 3.9, 3.9), ('s', [], '3H', 1.6, 1.6), ('s', [], '3H', 1.4, 1.4), ('s', [], '3H', 1.13, 1.13)] | 21 | 7 | 21 |
10.1002_adsc.202300487 | CCOC(=O)c1cccn1C(=O)C(C)(C)Oc1ccccc1 | 34 | 34 | [0.14553619 0.16093751 0.24578219 0.22285157] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 7.77 (d, J = 3.7 Hz, 1H), 7.22 (t, J = 7.3 Hz, 2H), 6.98 (t, J = 7.3 Hz, 1H), 6.92 (t, J = 7.3 Hz, 2H), 6.83 (d, J = 3.7 Hz, 1H), 6.12 (t, J = 3.7 Hz, 1H), 4.34 (q, J = 6.9 Hz, 2H), 1.76 (s, 6H), 1.36 (t, J = 6.9 Hz, 3H), 13 | null | [('d', ['3.7Hz'], '1H', 7.77, 7.77), ('t', ['7.3Hz'], '2H', 7.22, 7.22), ('t', ['7.3Hz'], '1H', 6.98, 6.98), ('t', ['7.3Hz'], '2H', 6.92, 6.92), ('d', ['3.7Hz'], '1H', 6.83, 6.83), ('t', ['3.7Hz'], '1H', 6.12, 6.12), ('q', ['6.9Hz'], '2H', 4.34, 4.34), ('s', [], '6H', 1.76, 1.76), ('t', ['6.9Hz'], '3H', 1.36, 1.36)] | 19 | 9 | 19 |
10.1002_adsc.202300487 | CCOC(=O)c1cccn1C(=O)C(C)(C)c1ccccc1 | 35 | 35 | [0.14470771 0.15390625 0.23252652 0.22929689] | [0.14084148 0.24726563 0.85719987 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 7.38 (d, J = 4.1 Hz, 4H), 7.31 (q, J = 4.1 Hz, 1H), 6.77 (d, J = 3.2 Hz, 1H), 6.22 (d, J = 3.2 Hz, 1H), 5.88 (t, J = 3.2 Hz, 1H), 4.31 (q, J = 6.9 Hz, 2H), 1.71 (s, 6H), 1.35 (t, J = 6.9 Hz, 3H), 13 | null | [('d', ['4.1Hz'], '4H', 7.38, 7.38), ('q', ['4.1Hz'], '1H', 7.31, 7.31), ('d', ['3.2Hz'], '1H', 6.77, 6.77), ('d', ['3.2Hz'], '1H', 6.22, 6.22), ('t', ['3.2Hz'], '1H', 5.88, 5.88), ('q', ['6.9Hz'], '2H', 4.31, 4.31), ('s', [], '6H', 1.71, 1.71), ('t', ['6.9Hz'], '3H', 1.35, 1.35)] | 19 | 9 | 19 |
10.1002_adsc.202300487 | CCOC(=O)c1cccn1C(=O)C1(C)COC(C)(C)OC1 | 36 | 36 | [0.14498388 0.15703126 0.24550602 0.22578126] | [0.14028915 0.24726563 0.8583045 0.42968754] | 1H NMR | 600 MHz | CDCl3 | 7.33 (d, J = 3.5 Hz, 1H), 6.95 (d, J = 3.5 Hz, 1H), 6.22 (t, J = 3.5 Hz, 1H), 4.31 (d, J = 12.4 Hz, 2H), 4.25 (q, J = 7.3 Hz, 2H), 3.75 (d, J = 11.9 Hz, 2H), 1.43 (s, 3H), 1.39 (s, 3H), 1.37 (s, 3H), 1.31 (t, J = 7.3 Hz, 3H), 13 | null | [('d', ['3.5Hz'], '1H', 7.33, 7.33), ('d', ['3.5Hz'], '1H', 6.95, 6.95), ('t', ['3.5Hz'], '1H', 6.22, 6.22), ('d', ['12.4Hz'], '2H', 4.31, 4.31), ('q', ['7.3Hz'], '2H', 4.25, 4.25), ('d', ['11.9Hz'], '2H', 3.75, 3.75), ('s', [], '3H', 1.43, 1.43), ('s', [], '3H', 1.39, 1.39), ('s', [], '3H', 1.37, 1.37), ('t', ['7.3Hz'... | 21 | 8 | 21 |
10.1002_adsc.202300487 | Cc1cc(C)n(C(=O)C(C)(C)Oc2ccccc2)n1 | 37 | 37 | [0.14443155 0.15429688 0.27201737 0.22890626] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 7.19 (t, J = 7.3 Hz, 2H), 6.95 (t, J = 7.3 Hz, 1H), 6.87 (d, J = 7.3 Hz, 2H), 5.20 (s, 1H), 2.55 (s, 3H), 2.22 (s, 3H), 1.90 (s, 6H), 13 | null | [('t', ['7.3Hz'], '2H', 7.19, 7.19), ('t', ['7.3Hz'], '1H', 6.95, 6.95), ('d', ['7.3Hz'], '2H', 6.87, 6.87), ('s', [], '1H', 5.2, 5.2), ('s', [], '3H', 2.55, 2.55), ('s', [], '3H', 2.22, 2.22), ('s', [], '6H', 1.9, 1.9)] | 18 | 7 | 18 |
10.1002_adsc.202300487 | Cc1cc(C)n(C(=O)C(C)(C)c2ccccc2)n1 | 38 | 38 | [0.14691699 0.15625 0.25710473 0.22578126] | [0.14139379 0.24726563 0.85719987 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 7.26 (d, J = 4.3 Hz, 4H), 7.16 (t, J = 4.3 Hz, 1H), 5.75 (s, 1H), 2.55 (s, 3H), 1.94 (s, 3H), 1.79 (s, 6H), 13 | null | [('d', ['4.3Hz'], '4H', 7.26, 7.26), ('t', ['4.3Hz'], '1H', 7.16, 7.16), ('s', [], '1H', 5.75, 5.75), ('s', [], '3H', 2.55, 2.55), ('s', [], '3H', 1.94, 1.94), ('s', [], '6H', 1.79, 1.79)] | 18 | 7 | 18 |
10.1002_adsc.202300487 | Cc1cc(C)n(C(=O)C(C)(c2ccccc2)c2ccccc2)n1 | 39 | 39 | [0.14691699 0.15820312 0.25710473 0.24726563] | [0.14028915 0.26875001 0.8583045 0.45312504] | 1H NMR | 600 MHz | CDCl3 | 7.30 (t, J = 7.3 Hz, 4H), 7.23 (t, J = 7.3 Hz, 6H), 5.81 (s, 1H), 2.57 (s, 3H), 2.34 (s, 3H), 1.95 (s, 3H), 13 | null | [('t', ['7.3Hz'], '4H', 7.3, 7.3), ('t', ['7.3Hz'], '6H', 7.23, 7.23), ('s', [], '1H', 5.81, 5.81), ('s', [], '3H', 2.57, 2.57), ('s', [], '3H', 2.34, 2.34), ('s', [], '3H', 1.95, 1.95)] | 20 | 7 | 20 |
10.1002_adsc.202300487 | CC(C)(C(N1[C@@H](Cc2ccccc2)COC1=O)=O)c1ccccc1 | 40 | 40 | [0.14415539 0.15214845 0.24191594 0.23027345] | [0.14028915 0.24726563 0.8583045 0.42968754] | 1H NMR | 600 MHz | CDCl3 | 7.36 (t, J = 7.8 Hz, 2H), 7.33 (t, J = 7.8 Hz, 2H), 7.30 (d, J = 7.8 Hz, 1H), 7.28 (d, J = 7.8 Hz, 2H), 7.24-7.21 (m, 3H), 4.27 (dddd, J = 10.1, 9.2, 3.2, 3.2 Hz, 1H), 4.07 (t, J = 9.2 Hz, 1H), 4.05 (dd, J = 9.2, 3.2 Hz, 1H), 3.41 (dd, J = 13.0, 3.2 Hz, 1H), 2.74 (dd, J = 13.0, 10.1 Hz, 1H), 1.77 (s, 3H), 1.68 (s, 3H),... | null | [('t', ['7.8Hz'], '2H', 7.36, 7.36), ('t', ['7.8Hz'], '2H', 7.33, 7.33), ('d', ['7.8Hz'], '1H', 7.3, 7.3), ('d', ['7.8Hz'], '2H', 7.28, 7.28), ('m', [], '3H', 7.24, 7.21), ('dddd', ['10.1Hz', '9.2Hz', '3.2Hz', '3.2Hz'], '1H', 4.27, 4.27), ('t', ['9.2Hz'], '1H', 4.07, 4.07), ('dd', ['9.2Hz', '3.2Hz'], '1H', 4.05, 4.05),... | 21 | 10 | 21 |
10.1002_adsc.202300487 | CC(C(N1[C@@H](Cc2ccccc2)COC1=O)=O)(c1ccccc1)c1ccccc1 | 41 | 41 | [0.14443155 0.15234375 0.24771531 0.23105469] | [0.14028915 0.24726563 0.8583045 0.42968754] | 1H NMR | 600 MHz | CDCl3 | 7.40-7.36 (m, 6H), 7.32 (t, J = 6.6 Hz, 3H), 7.29 (d, J = 8.7 Hz, 2H), 7.27 (d, J = 8.7 Hz, 2H), 7.25 (d, J = 8.3 Hz, 2H), 4.84 (dddd, J = 10.3, 9.4, 3.2, 3.2 Hz, 1H), 4.11 (t, J = 9.4 Hz, 1H, overlapped), 4.09 (dd, J = 9.4, 3.2 Hz, 1H), 3.52 (dd, J = 12.8, 3.2 Hz, 1H), 2.76 (dd, J = 12.8, 10.3 Hz, 1H), 2.27 (s, 3H), 1... | null | [('m', [], '6H', 7.4, 7.36), ('t', ['6.6Hz'], '3H', 7.32, 7.32), ('d', ['8.7Hz'], '2H', 7.29, 7.29), ('d', ['8.7Hz'], '2H', 7.27, 7.27), ('d', ['8.3Hz'], '2H', 7.25, 7.25), ('dddd', ['10.3Hz', '9.4Hz', '3.2Hz', '3.2Hz'], '1H', 4.84, 4.84), ('t', ['9.4Hz'], '1H', 4.11, 4.11), ('dd', ['9.4Hz', '3.2Hz'], '1H', 4.09, 4.09)... | 23 | 10 | 23 |
10.1002_adsc.202300487 | c1ccc(C[C@H]2COC(=O)N2C(=O)C2(c3ccccc3)CCCC2)cc1 | 42 | 42 | [0.14622659 0.15253907 0.23735932 0.23105469] | [0.14028915 0.24726563 0.85719987 0.43125002] | 1H NMR | 600 MHz | CDCl3 | 7.34 (t, J = 7.8 Hz, 2H), 7.30 (d, J = 7.3 Hz, 3H), 7.27-7.23 (m, 4H), 7.20 (t, J = 7.3 Hz, 1H), 4.74 (dddd, J =10.1, 9.2, 3.2, 3.2 Hz, 1H), 4.07 (t, J = 9.2 Hz, 1H), 4.04 (dd, J = 9.2, 3.2 Hz, 1H), 3.40 (dd, J = 13.0, 3.2 Hz, 1H), 2.70 (dd, J = 13.0, 10.1 Hz, 1H), 2.53-2.48 (m, 2H), 2.36 (m, 1H), 2.19 (m, 1H), 1.80-1.... | null | [('t', ['7.8Hz'], '2H', 7.34, 7.34), ('d', ['7.3Hz'], '3H', 7.3, 7.3), ('m', [], '4H', 7.27, 7.23), ('t', ['7.3Hz'], '1H', 7.2, 7.2), ('dddd', ['10.1Hz', '9.2Hz', '3.2Hz', '3.2Hz'], '1H', 4.74, 4.74), ('t', ['9.2Hz'], '1H', 4.07, 4.07), ('dd', ['9.2Hz', '3.2Hz'], '1H', 4.04, 4.04), ('dd', ['13.0Hz', '3.2Hz'], '1H', 3.4... | 23 | 11 | 23 |
10.1002_adsc.202300487 | CC1(C(=O)N2C(=O)CCc3ccccc32)COC1 | 43 | 43 | [0.14581235 0.15683594 0.23970666 0.22539064] | [0.14028915 0.24726563 0.8583045 0.42968754] | 1H NMR | 600 MHz | CDCl3 | 7.28 (d, J = 7.8 Hz, 1H), 7.24 (d, J = 7.8 Hz, 1H), 7.22 (t, J = 7.8 Hz, 1H), 7.13 (t, J = 7.8 Hz, 1H), 4.91 (d, J = 6.9 Hz, 2H), 4.41 (d, J = 6.9 Hz, 2H), 2.91 (t, J = 7.2 Hz, 2H), 2.67 (t, J = 7.2 Hz, 2H), 1.82 (s, 3H), 13 | null | [('d', ['7.8Hz'], '1H', 7.28, 7.28), ('d', ['7.8Hz'], '1H', 7.24, 7.24), ('t', ['7.8Hz'], '1H', 7.22, 7.22), ('t', ['7.8Hz'], '1H', 7.13, 7.13), ('d', ['6.9Hz'], '2H', 4.91, 4.91), ('d', ['6.9Hz'], '2H', 4.41, 4.41), ('t', ['7.2Hz'], '2H', 2.91, 2.91), ('t', ['7.2Hz'], '2H', 2.67, 2.67), ('s', [], '3H', 1.82, 1.82)] | 15 | 8 | 15 |
10.1002_adsc.202300487 | COC(=O)CCC(=O)n1ccc2cccnc12 | 44 | 44 | [0.14443155 0.15253907 0.27671208 0.20859375] | [0.14028915 0.22578126 0.8583045 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 8.33 (d, J = 4.6 Hz, 1H), 7.94 (d, J = 4.1 Hz, 1H), 7.84 (d, J = 7.8 Hz, 1H), 7.16 (dd, J = 7.8, 4.6 Hz, 1H), 6.56 (d, J = 4.1 Hz, 1H), 3.86 (t, J = 6.4 Hz, 2H), 3.70 (s, 3H), 2.84 (t, J = 6.4 Hz, 2H), 13 | null | [('d', ['4.6Hz'], '1H', 8.33, 8.33), ('d', ['4.1Hz'], '1H', 7.94, 7.94), ('d', ['7.8Hz'], '1H', 7.84, 7.84), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.16, 7.16), ('d', ['4.1Hz'], '1H', 6.56, 6.56), ('t', ['6.4Hz'], '2H', 3.86, 3.86), ('s', [], '3H', 3.7, 3.7), ('t', ['6.4Hz'], '2H', 2.84, 2.84)] | 12 | 8 | 12 |
10.1002_adsc.202300487 | COc1ccc(COCCC(=O)n2ccc3cccnc23)cc1 | 47 | 47 | [0.14636467 0.15390625 0.27395048 0.20742189] | [0.13973684 0.22539064 0.8583045 0.41054689] | 1H NMR | 600 MHz | CDCl3 | 8.33 (d, J = 4.6 Hz, 1H), 7.99 (d, J = 3.7 Hz, 1H), 7.84 (d, J = 7.8 Hz, 1H), 7.27 (d, J = 8.7 Hz, 2H), 7.15 (dd, J = 7.8, 4.6 Hz, 1H), 6.86 (d, J = 8.7 Hz, 2H), 6.57 (d, J = 3.7 Hz, 1H), 4.54 (s, 2H), 3.99 (t, J = 6.3 Hz, 2H), 3.90 (t, J = 6.3 Hz, 2H), 3.77 (s, 3H), 13 | null | [('d', ['4.6Hz'], '1H', 8.33, 8.33), ('d', ['3.7Hz'], '1H', 7.99, 7.99), ('d', ['7.8Hz'], '1H', 7.84, 7.84), ('d', ['8.7Hz'], '2H', 7.27, 7.27), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.15, 7.15), ('d', ['8.7Hz'], '2H', 6.86, 6.86), ('d', ['3.7Hz'], '1H', 6.57, 6.57), ('s', [], '2H', 4.54, 4.54), ('t', ['6.3Hz'], '2H', 3.99,... | 18 | 11 | 18 |
10.1002_adsc.202300487 | CC(C)(C)OC(=O)NCCC(=O)n1ccc2cccnc12 | 48 | 48 | [0.14691699 0.16035157 0.27781671 0.22304689] | [0.14139379 0.24726563 0.85719987 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 8.31 (d, J = 4.6 Hz, 1H), 7.91 (d, J = 4.1 Hz, 1H), 7.83 (d, J = 7.8 Hz, 1H), 7.15 (dd, J = 7.8, 4.6 Hz, 1H), 6.55 (d, J = 4.1 Hz, 1H), 5.26 (brs, 1H), 3.71 (t, J = 6.0 Hz, 2H), 3.62 (q, J = 6.0 Hz, 2H), 1.40 (s, 9H), 13 | null | [('d', ['4.6Hz'], '1H', 8.31, 8.31), ('d', ['4.1Hz'], '1H', 7.91, 7.91), ('d', ['7.8Hz'], '1H', 7.83, 7.83), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.15, 7.15), ('d', ['4.1Hz'], '1H', 6.55, 6.55), ('brs', [], '1H', 5.26, 5.26), ('t', ['6.0Hz'], '2H', 3.71, 3.71), ('q', ['6.0Hz'], '2H', 3.62, 3.62), ('s', [], '9H', 1.4, 1.4)] | 19 | 9 | 19 |
10.1002_adsc.202300487 | O=C(c1ccccn1)n1ccc2cccnc21 | 49 | 49 | [0.14512195 0.15703126 0.2409494 0.22656252] | [0.13973684 0.24726563 0.85885684 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.64 (d, J = 5.5 Hz, 1H), 8.29 (d, J = 4.6 Hz, 1H), 7.97 (d, J = 7.8 Hz, 1H), 7.95 (d, J = 4.2 Hz, 1H), 7.85 (t, J = 7.8 Hz, 1H), 7.83 (d, J = 7.8 Hz, 1H), 7.44 (dd, J = 7.8, 4.6 Hz, 1H), 7.12 (dd, J = 7.8, 4.6 Hz, 1H), 6.57 (d, J = 4.2 Hz, 1H), 13 | null | [('d', ['5.5Hz'], '1H', 8.64, 8.64), ('d', ['4.6Hz'], '1H', 8.29, 8.29), ('d', ['7.8Hz'], '1H', 7.97, 7.97), ('d', ['4.2Hz'], '1H', 7.95, 7.95), ('t', ['7.8Hz'], '1H', 7.85, 7.85), ('d', ['7.8Hz'], '1H', 7.83, 7.83), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.44, 7.44), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.12, 7.12), ('d', ['4.2... | 9 | 9 | 9 |
10.1002_adsc.202300487 | O=C(c1ccncc1)n1ccc2cccnc21 | 50 | 50 | [0.14691699 0.15703126 0.2444014 0.22656252] | [0.13973684 0.24726563 0.85885684 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 8.78 (d, J = 6.0 Hz, 2H), 8.18 (d, J = 4.6 Hz, 1H), 7.88 (d, J = 7.8 Hz, 1H), 7.75 (d, J = 4.1 Hz, 1H), 7.56 (d, J = 6.0 Hz, 2H), 7.16 (dd, J = 7.8, 4.6 Hz, 1H), 6.67 (d, J = 4.1 Hz, 1H), 13 | null | [('d', ['6.0Hz'], '2H', 8.78, 8.78), ('d', ['4.6Hz'], '1H', 8.18, 8.18), ('d', ['7.8Hz'], '1H', 7.88, 7.88), ('d', ['4.1Hz'], '1H', 7.75, 7.75), ('d', ['6.0Hz'], '2H', 7.56, 7.56), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.16, 7.16), ('d', ['4.1Hz'], '1H', 6.67, 6.67)] | 9 | 7 | 9 |
10.1002_adsc.202300487 | Cc1ncsc1C(=O)n1ccc2cccnc21 | 51 | 51 | [0.14498388 0.15839844 0.24384906 0.22558596] | [0.13973684 0.24726563 0.85885684 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 8.86 (s, 1H), 8.24 (d, J = 4.6 Hz, 1H), 7.85 (d, J = 7.8 Hz, 1H), 7.71 (d, J = 4.1 Hz, 1H), 7.14 (dd, J = 7.8, 4.6 Hz, 1H), 6.61 (d, J = 4.1 Hz, 1H), 2.48 (s, 3H), 13 | null | [('s', [], '1H', 8.86, 8.86), ('d', ['4.6Hz'], '1H', 8.24, 8.24), ('d', ['7.8Hz'], '1H', 7.85, 7.85), ('d', ['4.1Hz'], '1H', 7.71, 7.71), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.14, 7.14), ('d', ['4.1Hz'], '1H', 6.61, 6.61), ('s', [], '3H', 2.48, 2.48)] | 9 | 7 | 9 |
10.1002_adsc.202300487 | O=C(c1ccc2ccccc2n1)n1ccc2cccnc12 | 52 | 52 | [0.14526003 0.15703126 0.27229351 0.22656252] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.28 (d, J = 4.6 Hz, 1H), 8.27 (d, J = 8.7 Hz, 1H), 8.10 (m, 1H), 8.09 (d, J = 8.7 Hz, 1H), 8.00 (d, J = 8.7 Hz, 1H), 7.82 (d, J = 7.8 Hz, 2H), 7.70 (t, J = 7.8 Hz, 1H), 7.57 (t, J = 7.8 Hz, 1H), 7.11 (m, 1H), 6.57 (m, 1H), 13 | null | [('d', ['4.6Hz'], '1H', 8.28, 8.28), ('d', ['8.7Hz'], '1H', 8.27, 8.27), ('m', [], '1H', 8.1, 8.1), ('d', ['8.7Hz'], '1H', 8.09, 8.09), ('d', ['8.7Hz'], '1H', 8.0, 8.0), ('d', ['7.8Hz'], '2H', 7.82, 7.82), ('t', ['7.8Hz'], '1H', 7.7, 7.7), ('t', ['7.8Hz'], '1H', 7.57, 7.57), ('m', [], '1H', 7.11, 7.11), ('m', [], '1H',... | 11 | 11 | 11 |
10.1002_adsc.202300487 | O=C(c1ccc2ccccc2n1)n1ccc2c(Br)ccnc12 | 53 | 53 | [0.15464947 0.15937501 0.28113062 0.24453126] | [0.14028915 0.26835939 0.85719987 0.45390628] | 1H NMR | 600 MHz | CDCl3 | 8.32 (d, J = 7.8 Hz, 1H), 8.22 (d, J = 4.1 Hz, 1H), 8.10 (d, J = 5.4 Hz, 1H), 8.09 (d, J = 8.3 Hz, 1H), 8.07 (d, J = 8.3 Hz, 1H), 7.87 (d, J = 7.8 Hz, 1H), 7.75 (t, J = 7.8 Hz, 1H), 7.63 (d, J = 7.8 Hz, 1H), 7.34 (d, J = 5.4 Hz, 1H), 6.67 (d, J = 4.1 Hz, 1H), 13 | null | [('d', ['7.8Hz'], '1H', 8.32, 8.32), ('d', ['4.1Hz'], '1H', 8.22, 8.22), ('d', ['5.4Hz'], '1H', 8.1, 8.1), ('d', ['8.3Hz'], '1H', 8.09, 8.09), ('d', ['8.3Hz'], '1H', 8.07, 8.07), ('d', ['7.8Hz'], '1H', 7.87, 7.87), ('t', ['7.8Hz'], '1H', 7.75, 7.75), ('d', ['7.8Hz'], '1H', 7.63, 7.63), ('d', ['5.4Hz'], '1H', 7.34, 7.34... | 10 | 10 | 10 |
10.1002_adsc.202300487 | CC(C)(Oc1ccccc1)C(=O)n1ccc2cccnc21 | 54 | 54 | [0.14719315 0.15585938 0.27229351 0.22714844] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.52 (d, J = 5.0 Hz, 1H), 8.30 (d, J = 4.2 Hz, 1H), 7.79 (d, J = 7.8 Hz, 1H), 7.17 (dd, J = 7.8, 5.0 Hz, 1H), 7.12 (t, J = 7.3 Hz, 2H), 6.89 (t, J = 7.3 Hz, 1H), 6.85 (d, J = 7.3 Hz, 2H), 6.42 (d, J = 4.2 Hz, 1H), 1.79 (s, 6H), 13 | null | [('d', ['5.0Hz'], '1H', 8.52, 8.52), ('d', ['4.2Hz'], '1H', 8.3, 8.3), ('d', ['7.8Hz'], '1H', 7.79, 7.79), ('dd', ['7.8Hz', '5.0Hz'], '1H', 7.17, 7.17), ('t', ['7.3Hz'], '2H', 7.12, 7.12), ('t', ['7.3Hz'], '1H', 6.89, 6.89), ('d', ['7.3Hz'], '2H', 6.85, 6.85), ('d', ['4.2Hz'], '1H', 6.42, 6.42), ('s', [], '6H', 1.79, 1... | 16 | 9 | 16 |
10.1002_adsc.202300487 | CC(C)(C(=O)n1ccc2cccnc21)c1ccccc1 | 56 | 56 | [0.14704045 0.15683594 0.25704441 0.22363283] | [0.14206539 0.24609377 0.85957857 0.43125002] | 1H NMR | 600 MHz | CDCl3 | 8.43 (d, J = 5.0 Hz, 1H), 7.73 (d, J = 7.8 Hz, 1H), 7.34-7.29 (m, 4H), 7.22 (t, J = 6.9 Hz, 1H), 7.11 (dd, J = 7.8, 4.6 Hz, 1H), 7.03 (d, J = 4.1 Hz, 1H), 6.22 (d, J = 4.1 Hz, 1H), 1.74 (s, 6H), 13 | null | [('d', ['5.0Hz'], '1H', 8.43, 8.43), ('d', ['7.8Hz'], '1H', 7.73, 7.73), ('m', [], '4H', 7.34, 7.29), ('t', ['6.9Hz'], '1H', 7.22, 7.22), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.11, 7.11), ('d', ['4.1Hz'], '1H', 7.03, 7.03), ('d', ['4.1Hz'], '1H', 6.22, 6.22), ('s', [], '6H', 1.74, 1.74)] | 16 | 9 | 16 |
10.1002_adsc.202300487 | CC(C(=O)n1ccc2cccnc21)(c1ccccc1)c1ccccc1 | 57 | 57 | [0.14704045 0.15722656 0.25704441 0.2435547 ] | [0.14206539 0.26835939 0.85957857 0.45195315] | 1H NMR | 600 MHz | CDCl3 | 8.48 (d, J = 5.0 Hz, 1H), 7.73 (d, J = 7.8 Hz, 1H), 7.37 (d, J = 7.8 Hz, 4H), 7.32 (t, J = 7.8 Hz, 4H), 7.25 (t, J = 7.2 Hz, 2H), 7.13 (dd, J = 7.8, 5.0 Hz, 1H), 7.10 (d, J = 4.1 Hz, 1H), 6.17 (d, J = 5.0 Hz, 1H), 2.16 (s, 3H), 13 | null | [('d', ['5.0Hz'], '1H', 8.48, 8.48), ('d', ['7.8Hz'], '1H', 7.73, 7.73), ('d', ['7.8Hz'], '4H', 7.37, 7.37), ('t', ['7.8Hz'], '4H', 7.32, 7.32), ('t', ['7.2Hz'], '2H', 7.25, 7.25), ('dd', ['7.8Hz', '5.0Hz'], '1H', 7.13, 7.13), ('d', ['4.1Hz'], '1H', 7.1, 7.1), ('d', ['5.0Hz'], '1H', 6.17, 6.17), ('s', [], '3H', 2.16, 2... | 18 | 9 | 18 |
10.1002_adsc.202300487 | O=C(n1ccc2cccnc21)C1(c2ccc(Cl)cc2)CC1 | 58 | 58 | [0.14664083 0.15976563 0.27919751 0.22246095] | [0.13973684 0.24726563 0.85885684 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.36 (d, J = 4.6 Hz, 1H), 7.74 (d, J = 7.8 Hz, 1H), 7.67 (d, J = 5.0 Hz, 1H), 7.23 (d, J = 7.2 Hz, 2H), 7.16 (d, J = 7.2 Hz, 2H), 7.09 (dd, J = 7.8, 4.6 Hz, 1H), 6.43 (d, J = 5.0 Hz, 1H), 1.75 (t, J = 6.9 Hz, 2H), 1.42 (t, J = 6.9 Hz, 2H), 13 | null | [('d', ['4.6Hz'], '1H', 8.36, 8.36), ('d', ['7.8Hz'], '1H', 7.74, 7.74), ('d', ['5.0Hz'], '1H', 7.67, 7.67), ('d', ['7.2Hz'], '2H', 7.23, 7.23), ('d', ['7.2Hz'], '2H', 7.16, 7.16), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.09, 7.09), ('d', ['5.0Hz'], '1H', 6.43, 6.43), ('t', ['6.9Hz'], '2H', 1.75, 1.75), ('t', ['6.9Hz'], '2H'... | 13 | 8 | 13 |
10.1002_adsc.202300487 | CC1(C(=O)n2ccc3cccnc32)COC1 | 59 | 59 | [0.14553619 0.15566408 0.23722123 0.22656252] | [0.14028915 0.24726563 0.8583045 0.43085938] | 1H NMR | 600 MHz | CDCl3 | 8.27 (d, J = 4.6 Hz, 1H), 7.98 (d, J = 4.1 Hz, 1H), 7.85 (d, J = 7.8 Hz, 1H), 7.17 (dd, J = 7.8, 4.6 Hz, 1H), 6.64 (d, J = 4.1 Hz, 1H), 5.10 (d, J = 6.9 Hz, 2H), 4.74 (d, J = 6.9 Hz, 2H), 1.90 (s, 3H), 13 | null | [('d', ['4.6Hz'], '1H', 8.27, 8.27), ('d', ['4.1Hz'], '1H', 7.98, 7.98), ('d', ['7.8Hz'], '1H', 7.85, 7.85), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.17, 7.17), ('d', ['4.1Hz'], '1H', 6.64, 6.64), ('d', ['6.9Hz'], '2H', 5.1, 5.1), ('d', ['6.9Hz'], '2H', 4.74, 4.74), ('s', [], '3H', 1.9, 1.9)] | 12 | 7 | 12 |
10.1002_adsc.202300487 | CC1(C)OCC(C)(C(=O)n2ccc3cccnc32)CO1 | 60 | 60 | [0.14704045 0.15058594 0.27279873 0.22910157] | [0.14151261 0.24648439 0.86013137 0.4292969 ] | 1H NMR | 600 MHz | CDCl3 | 8.31 (d, J = 4.6 Hz, 1H), 8.00 (d, J = 4.1 Hz, 1H), 7.84 (d, J = 7.8 Hz, 1H), 7.15 (dd, J = 7.8, 4.6 Hz, 1H), 6.60 (d, J = 4.1 Hz, 1H), 4.68 (d, J = 12.0 Hz, 2H), 4.08 (d, J = 12.0 Hz, 2H), 1.69 (s, 3H), 1.47 (s, 3H), 1.36 (s, 3H), 13 | null | [('d', ['4.6Hz'], '1H', 8.31, 8.31), ('d', ['4.1Hz'], '1H', 8.0, 8.0), ('d', ['7.8Hz'], '1H', 7.84, 7.84), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.15, 7.15), ('d', ['4.1Hz'], '1H', 6.6, 6.6), ('d', ['12.0Hz'], '2H', 4.68, 4.68), ('d', ['12.0Hz'], '2H', 4.08, 4.08), ('s', [], '3H', 1.69, 1.69), ('s', [], '3H', 1.47, 1.47), (... | 18 | 8 | 18 |
10.1002_adsc.202300487 | C(C12CCC(C(=O)n3ccc4cccnc34)(CC1)CC2)(OC)=O | 61 | 61 | [0.14526003 0.15390625 0.29438629 0.22929689] | [0.14028915 0.24726563 0.8583045 0.43164066] | 1H NMR | 600 MHz | CDCl3 | 8.37 (d, J = 4.6 Hz, 1H), 7.94 (d, J = 4.1 Hz, 1H), 7.82 (d, J = 7.8 Hz, 1H), 7.14 (dd, J = 7.8, 4.6 Hz, 1H), 6.55 (d, J = 4.1 Hz, 1H), 3.67 (s, 3H), 2.32 (t, J = 7.9 Hz, 6H), 1.92 (t, J = 7.9 Hz, 6H), 13 | null | [('d', ['4.6Hz'], '1H', 8.37, 8.37), ('d', ['4.1Hz'], '1H', 7.94, 7.94), ('d', ['7.8Hz'], '1H', 7.82, 7.82), ('dd', ['7.8Hz', '4.6Hz'], '1H', 7.14, 7.14), ('d', ['4.1Hz'], '1H', 6.55, 6.55), ('s', [], '3H', 3.67, 3.67), ('t', ['7.9Hz'], '6H', 2.32, 2.32), ('t', ['7.9Hz'], '6H', 1.92, 1.92)] | 20 | 8 | 20 |
10.1002_adsc.202300487 | CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)n1ccc2c(Br)ccnc12 | 62 | 62 | [0.1474693 0.15156251 0.35900769 0.25234376] | [0.14028915 0.26835939 0.8583045 0.45312504] | 1H NMR | 600 MHz | CDCl3 | 8.31 (d, J = 5.4 Hz, 1H), 8.20 (d, J = 4.6 Hz, 1H), 7.60 (d, J = 8.7 Hz, 2H), 7.57 (d, J = 8.7 Hz, 2H), 7.36 (d, J = 5.4 Hz, 1H), 7.33 (d, J = 8.7 Hz, 2H), 6.91 (d, J = 8.7 Hz, 2H), 6.50 (d, J = 4.6 Hz, 1H), 1.87 (s, 6H), 13 | null | [('d', ['5.4Hz'], '1H', 8.31, 8.31), ('d', ['4.6Hz'], '1H', 8.2, 8.2), ('d', ['8.7Hz'], '2H', 7.6, 7.6), ('d', ['8.7Hz'], '2H', 7.57, 7.57), ('d', ['5.4Hz'], '1H', 7.36, 7.36), ('d', ['8.7Hz'], '2H', 7.33, 7.33), ('d', ['8.7Hz'], '2H', 6.91, 6.91), ('d', ['4.6Hz'], '1H', 6.5, 6.5), ('s', [], '6H', 1.87, 1.87)] | 18 | 9 | 18 |
10.1002_adsc.202300487 | CC(C(=O)n1ccc2c(Br)ccnc12)(c1ccccc1)c1ccccc1 | 63 | 63 | [0.14691699 0.15156251 0.25710473 0.25156252] | [0.14028915 0.26835939 0.8583045 0.45117191] | 1H NMR | 600 MHz | CDCl3 | 8.29 (d, J = 5.0 Hz, 1H), 7.38-7.33 (m, 9H), 7.26 (t, J = 7.2 Hz, 2H), 7.17 (d, J = 4.1 Hz, 1H), 6.25 (d, J = 4.1 Hz, 1H), 2.16 (s, 3H), 13 | null | [('d', ['5.0Hz'], '1H', 8.29, 8.29), ('m', [], '9H', 7.38, 7.33), ('t', ['7.2Hz'], '2H', 7.26, 7.26), ('d', ['4.1Hz'], '1H', 7.17, 7.17), ('d', ['4.1Hz'], '1H', 6.25, 6.25), ('s', [], '3H', 2.16, 2.16)] | 17 | 8 | 17 |
10.1039_d1ob00580d | O(c1cc(C(=O)O)nc(C(=O)Nc2ccccn2)c1)C(C)(C)C | 2 | 2 | [0.10970447 0.82187506 0.2874823 0.89375004] | [0.11433013 0.90234382 0.88315893 0.91640626] | 1H NMR | 300 MHz | CDCl3 | 11.29 (s, 1H), 8.56 (dt, J = 8.5, 0.9 Hz, 1H), 8.51-8.36 (m, 1H), 8.08-7.95 (m, 2H), 7.88 (ddd, J = 8.7, 7.4, 1.8 Hz, 1H), 7.19 (ddd, J = 7.4, 5.1, 1.0 Hz, 1H), 3.97 (d, J = 6.5 Hz, 2H), 2.19 (dt, J = 13.3, 6.7 Hz, 1H), 1.08 (d, J = 6.7 Hz, 6H) | null | [('s', [], '1H', 11.29, 11.29), ('dt', ['8.5Hz', '0.9Hz'], '1H', 8.56, 8.56), ('m', [], '1H', 8.51, 8.36), ('m', [], '2H', 8.08, 7.95), ('ddd', ['8.7Hz', '7.4Hz', '1.8Hz'], '1H', 7.88, 7.88), ('ddd', ['7.4Hz', '5.1Hz', '1.0Hz'], '1H', 7.19, 7.19), ('d', ['6.5Hz'], '2H', 3.97, 3.97), ('dt', ['13.3Hz', '6.7Hz'], '1H', 2.... | 17 | 9 | 16 |
10.1039_d1ob00580d | O(c1cc(C(=O)O)nc(C(=O)Nc2ccccn2)c1)C(C)(C)C | 2 | 2 | [0.10970447 0.82187506 0.2874823 0.89375004] | [0.11433013 0.90234382 0.88315893 0.91640626] | 13C NMR | 75 MHz | CDCl3 | 168.02, 167.40, 162.51, 150.90, 148.76, 146.59, 139.55, 120.18, 115.52, 114.19, 112.76, 75.42, 28.01, 19.05 | null | [(168.02, None, None), (167.4, None, None), (162.51, None, None), (150.9, None, None), (148.76, None, None), (146.59, None, None), (139.55, None, None), (120.18, None, None), (115.52, None, None), (114.19, None, None), (112.76, None, None), (75.42, None, None), (28.01, None, None), (19.05, None, None)] | 16 | 14 | 14 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1cccc2cccnc12 | 2 | 2 | [0.14940243 0.19472658 0.30156646 0.23808595] | [0.1474693 0.2652344 0.84781045 0.3152344 ] | 1H NMR | 400 MHz | CDCl3 | 9.81 (s, 1H), 8.81-8.78 (m, 2H), 8.15 (dd, J = 8.3, 1.6 Hz, 1H), 7.55-7.50 (m, 2H), 7.45 (dd, J = 8.3, 4.2 Hz, 1H), 2.56 (t, J = 7.6 Hz, 2H), 1.86-1.79 (m, 2H), 1.46-1.34 (m, 4H), 0.92 (t, J = 7.0 Hz, 3H) | null | [('s', [], '1H', 9.81, 9.81), ('m', [], '2H', 8.81, 8.78), ('dd', ['8.3Hz', '1.6Hz'], '1H', 8.15, 8.15), ('m', [], '2H', 7.55, 7.5), ('dd', ['8.3Hz', '4.2Hz'], '1H', 7.45, 7.45), ('t', ['7.6Hz'], '2H', 2.56, 2.56), ('m', [], '2H', 1.86, 1.79), ('m', [], '4H', 1.46, 1.34), ('t', ['7.0Hz'], '3H', 0.92, 0.92)] | 18 | 12 | 18 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1cccc2cccnc12 | 2 | 2 | [0.14940243 0.19472658 0.30156646 0.23808595] | [0.1474693 0.2652344 0.84781045 0.3152344 ] | 13C NMR | 101 MHz | CDCl3 | 172.0, 148.2, 138.5, 136.5, 134.7, 128.1, 127.6, 121.7, 121.4, 116.5, 38.4, 31.6, 25.5, 22.6, 14.1 | null | [(172.0, None, None), (148.2, None, None), (138.5, None, None), (136.5, None, None), (134.7, None, None), (128.1, None, None), (127.6, None, None), (121.7, None, None), (121.4, None, None), (116.5, None, None), (38.4, None, None), (31.6, None, None), (25.5, None, None), (22.6, None, None), (14.1, None, None)] | 15 | 15 | 15 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(Br)c2cccnc12 | 2 | 2 | [0.14912627 0.43359379 0.30681348 0.48046879] | [0.14636467 0.50625001 0.84946742 0.63125001] | 1H NMR | 400 MHz | CDCl3 | 9.77 (s, 1H), 8.81 (dd, J = 4.1, 1.3 Hz, 1H), 8.68 (d, J = 8.4 Hz, 1H), 8.51 (dd, J = 8.5, 1.3 Hz, 1H), 7.78 (d, J = 8.4 Hz, 1H), 7.55 (dd, J = 8.5, 4.2 Hz, 1H), 2.55 (t, J = 7.6 Hz, 2H), 1.86-1.78 (m, 2H), 1.46-1.35 (m, 4H), 0.93 (t, J = 7.0 Hz, 3H) | null | [('s', [], '1H', 9.77, 9.77), ('dd', ['4.1Hz', '1.3Hz'], '1H', 8.81, 8.81), ('d', ['8.4Hz'], '1H', 8.68, 8.68), ('dd', ['8.5Hz', '1.3Hz'], '1H', 8.51, 8.51), ('d', ['8.4Hz'], '1H', 7.78, 7.78), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.55, 7.55), ('t', ['7.6Hz'], '2H', 2.55, 2.55), ('m', [], '2H', 1.86, 1.78), ('m', [], '4H',... | 17 | 11 | 17 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(Br)c2cccnc12 | 2 | 2 | [0.14912627 0.43359379 0.30681348 0.48046879] | [0.14636467 0.50625001 0.84946742 0.63125001] | 13C NMR | 101 MHz | CDCl3 | 172.0, 148.7, 139.2, 136.1, 134.6, 131.1, 127.3, 122.7, 117.0, 114.1, 38.3, 31.6, 25.4, 22.6, 14.1 | null | [(172.0, None, None), (148.7, None, None), (139.2, None, None), (136.1, None, None), (134.6, None, None), (131.1, None, None), (127.3, None, None), (122.7, None, None), (117.0, None, None), (114.1, None, None), (38.3, None, None), (31.6, None, None), (25.4, None, None), (22.6, None, None), (14.1, None, None)] | 15 | 15 | 15 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(OC)c2cccnc12 | 2 | 2 | [0.14967859 0.67500004 0.32117378 0.72187504] | [0.14802163 0.74726567 0.84946742 0.89062507] | 1H NMR | 400 MHz | CDCl3 | 9.55 (s, 1H), 8.80 (dd, J = 4.2, 1.6 Hz, 1H), 8.70 (d, J = 8.5 Hz, 1H), 8.57 (dd, J = 8.4, 1.6 Hz, 1H), 7.43 (dd, J = 8.4, 4.2 Hz, 1H), 6.83 (d, J = 8.6 Hz, 1H), 3.98 (s, 3H), 2.53 (t, J = 7.6 Hz, 2H), 1.85-1.78 (m, 2H), 1.43-1.36 (m, 4H), 0.92 (t, J = 7.0 Hz, 3H) | null | [('s', [], '1H', 9.55, 9.55), ('dd', ['4.2Hz', '1.6Hz'], '1H', 8.8, 8.8), ('d', ['8.5Hz'], '1H', 8.7, 8.7), ('dd', ['8.4Hz', '1.6Hz'], '1H', 8.57, 8.57), ('dd', ['8.4Hz', '4.2Hz'], '1H', 7.43, 7.43), ('d', ['8.6Hz'], '1H', 6.83, 6.83), ('s', [], '3H', 3.98, 3.98), ('t', ['7.6Hz'], '2H', 2.53, 2.53), ('m', [], '2H', 1.8... | 20 | 12 | 20 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(OC)c2cccnc12 | 2 | 2 | [0.14967859 0.67500004 0.32117378 0.72187504] | [0.14802163 0.74726567 0.84946742 0.89062507] | 13C NMR | 101 MHz | CDCl3 | 171.6, 150.2, 148.7, 139.2, 131.4, 128.2, 120.8, 120.6, 116.7, 104.5, 55.9, 38.3, 31.6, 25.6, 22.6, 14.1 | null | [(171.6, None, None), (150.2, None, None), (148.7, None, None), (139.2, None, None), (131.4, None, None), (128.2, None, None), (120.8, None, None), (120.6, None, None), (116.7, None, None), (104.5, None, None), (55.9, None, None), (38.3, None, None), (31.6, None, None), (25.6, None, None), (22.6, None, None), (14.1, No... | 16 | 16 | 16 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1cccc2cccnc12 | 3 | 3 | [0.14912627 0.09125977 0.30101414 0.13535157] | [0.14802163 0.16289064 0.84946742 0.25078126] | 1H NMR | 400 MHz | CDCl3 | 9.79 (s, 1H), 8.79 (dd, J = 7.5, 1.5 Hz, 1H), 8.76 (dd, J = 4.2, 1.7 Hz, 1H), 8.13 (dd, J = 8.3, 1.7 Hz, 1H), 7.56-7.46 (m, 2H), 7.42 (dd, J = 8.3, 4.2 Hz, 1H), 7.30 (d, J = 4.4 Hz, 4H), 7.24-7.17 (m, 1H), 3.18-3.12 (m, 2H), 2.92-2.85 (m, 2H) | null | [('s', [], '1H', 9.79, 9.79), ('dd', ['7.5Hz', '1.5Hz'], '1H', 8.79, 8.79), ('dd', ['4.2Hz', '1.7Hz'], '1H', 8.76, 8.76), ('dd', ['8.3Hz', '1.7Hz'], '1H', 8.13, 8.13), ('m', [], '2H', 7.56, 7.46), ('dd', ['8.3Hz', '4.2Hz'], '1H', 7.42, 7.42), ('d', ['4.4Hz'], '4H', 7.3, 7.3), ('m', [], '1H', 7.24, 7.17), ('m', [], '2H'... | 16 | 12 | 16 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1cccc2cccnc12 | 3 | 3 | [0.14912627 0.09125977 0.30101414 0.13535157] | [0.14802163 0.16289064 0.84946742 0.25078126] | 13C NMR | 101 MHz | CDCl3 | 170.8, 148.2, 140.9, 138.3, 136.4, 134.5, 128.7, 128.5, 128.0, 127.5, 126.3, 121.7, 121.6, 116.5, 39.8, 31.5 | null | [(170.8, None, None), (148.2, None, None), (140.9, None, None), (138.3, None, None), (136.4, None, None), (134.5, None, None), (128.7, None, None), (128.5, None, None), (128.0, None, None), (127.5, None, None), (126.3, None, None), (121.7, None, None), (121.6, None, None), (116.5, None, None), (39.8, None, None), (31.5... | 18 | 16 | 16 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1ccc(Br)c2cccnc12 | 3 | 3 | [0.14940243 0.31289064 0.30626117 0.35976564] | [0.14857395 0.38593751 0.85001971 0.51015626] | 1H NMR | 400 MHz | CDCl3 | 9.75 (s, 1H), 8.77 (dd, J = 4.2, 1.6 Hz, 1H), 8.68 (d, J = 8.4 Hz, 1H), 8.50 (dd, J = 8.5, 1.6 Hz, 1H), 7.78 (d, J = 8.4 Hz, 1H), 7.54 (dd, J = 8.5, 4.2 Hz, 1H), 7.31-7.28 (m, 4H), 7.23-7.19 (dd, J = 8.8, 4.4 Hz, 1H), 3.16-3.12 (m, 2H), 2.90-2.87 (m, 2H) | null | [('s', [], '1H', 9.75, 9.75), ('dd', ['4.2Hz', '1.6Hz'], '1H', 8.77, 8.77), ('d', ['8.4Hz'], '1H', 8.68, 8.68), ('dd', ['8.5Hz', '1.6Hz'], '1H', 8.5, 8.5), ('d', ['8.4Hz'], '1H', 7.78, 7.78), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.54, 7.54), ('m', [], '4H', 7.31, 7.28), ('dd', ['8.8Hz', '4.4Hz'], '1H', 7.23, 7.19), ('m', [... | 15 | 11 | 15 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1ccc(Br)c2cccnc12 | 3 | 3 | [0.14940243 0.31289064 0.30626117 0.35976564] | [0.14857395 0.38593751 0.85001971 0.51015626] | 13C NMR | 101 MHz | CDCl3 | 170.9, 148.7, 140.7, 139.1, 136.1, 134.4, 131.0, 128.7, 128.5, 127.2, 126.4, 122.8, 117.1, 114.2, 39.8, 31.5 | null | [(170.9, None, None), (148.7, None, None), (140.7, None, None), (139.1, None, None), (136.1, None, None), (134.4, None, None), (131.0, None, None), (128.7, None, None), (128.5, None, None), (127.2, None, None), (126.4, None, None), (122.8, None, None), (117.1, None, None), (114.2, None, None), (39.8, None, None), (31.5... | 18 | 16 | 16 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(I)c2cccnc12 | 4 | 4 | [0.14912627 0.18359377 0.30239494 0.23007813] | [0.14802163 0.25625001 0.84946742 0.38046877] | 1H NMR | 400 MHz | CDCl3 | 9.77 (s, 1H), 8.73 (d, J = 4.0 Hz, 1H), 8.53 (d, J = 8.3 Hz, 1H), 8.31 (d, J = 8.5 Hz, 1H), 8.02 (d, J = 8.3 Hz, 1H), 7.48 (dd, J = 8.5, 4.2 Hz, 1H), 2.54 (t, J = 7.6 Hz, 2H), 1.84-1.77 (m, 2H), 1.44-1.33 (m, 4H), 0.91 (t, J = 6.8 Hz, 3H) | null | [('s', [], '1H', 9.77, 9.77), ('d', ['4.0Hz'], '1H', 8.73, 8.73), ('d', ['8.3Hz'], '1H', 8.53, 8.53), ('d', ['8.5Hz'], '1H', 8.31, 8.31), ('d', ['8.3Hz'], '1H', 8.02, 8.02), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.48, 7.48), ('t', ['7.6Hz'], '2H', 2.54, 2.54), ('m', [], '2H', 1.84, 1.77), ('m', [], '4H', 1.44, 1.33), ('t', ... | 17 | 11 | 17 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(I)c2cccnc12 | 4 | 4 | [0.14912627 0.18359377 0.30239494 0.23007813] | [0.14802163 0.25625001 0.84946742 0.38046877] | 13C NMR | 101 MHz | CDCl3 | 172.0, 148.7, 140.7, 138.9, 138.3, 135.5, 129.6, 123.2, 117.8, 89.1, 38.3, 31.5, 25.3, 22.6, 14.1 | null | [(172.0, None, None), (148.7, None, None), (140.7, None, None), (138.9, None, None), (138.3, None, None), (135.5, None, None), (129.6, None, None), (123.2, None, None), (117.8, None, None), (89.1, None, None), (38.3, None, None), (31.5, None, None), (25.3, None, None), (22.6, None, None), (14.1, None, None)] | 15 | 15 | 15 |
10.1021_acs.orglett.3c03688 | CCCC(=O)Nc1ccc(I)c2cccnc12 | 4 | 4 | [0.14912627 0.42578129 0.27256968 0.47109376] | [0.1474693 0.49765627 0.85057205 0.52890627] | 1H NMR | 400 MHz | CDCl3 | 9.78 (s, 1H), 8.74 (dd, J = 4.2, 1.4 Hz, 1H), 8.54 (d, J = 8.3 Hz, 1H), 8.32 (dd, J = 8.5, 1.4 Hz, 1H), 8.04 (d, J = 8.3 Hz, 1H), 7.50 (dd, J = 8.5, 4.2 Hz, 1H), 2.53 (t, J = 7.5 Hz, 2H), 1.89-1.80 (m, 2H), 1.05 (t, J = 7.4 Hz, 3H) | null | [('s', [], '1H', 9.78, 9.78), ('dd', ['4.2Hz', '1.4Hz'], '1H', 8.74, 8.74), ('d', ['8.3Hz'], '1H', 8.54, 8.54), ('dd', ['8.5Hz', '1.4Hz'], '1H', 8.32, 8.32), ('d', ['8.3Hz'], '1H', 8.04, 8.04), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.5, 7.5), ('t', ['7.5Hz'], '2H', 2.53, 2.53), ('m', [], '2H', 1.89, 1.8), ('t', ['7.4Hz'], '... | 13 | 9 | 13 |
10.1021_acs.orglett.3c03688 | CCCC(=O)Nc1ccc(I)c2cccnc12 | 4 | 4 | [0.14912627 0.42578129 0.27256968 0.47109376] | [0.1474693 0.49765627 0.85057205 0.52890627] | 13C NMR | 101 MHz | CDCl3 | 171.9, 148.7, 140.8, 139.0, 138.4, 135.5, 129.6, 123.2, 117.8, 89.1, 40.3, 19.2, 13.9 | null | [(171.9, None, None), (148.7, None, None), (140.8, None, None), (139.0, None, None), (138.4, None, None), (135.5, None, None), (129.6, None, None), (123.2, None, None), (117.8, None, None), (89.1, None, None), (40.3, None, None), (19.2, None, None), (13.9, None, None)] | 13 | 13 | 13 |
10.1021_acs.orglett.3c03688 | CCCCC(=O)Nc1ccc(I)c2cccnc12 | 4 | 4 | [0.14967859 0.66562506 0.28637767 0.71250006] | [0.14636467 0.7371094 0.84891508 0.86250004] | 1H NMR | 400 MHz | CDCl3 | 9.80 (s, 1H), 8.76-8.75 (m, 1H), 8.55 (d, J = 8.3 Hz, 1H), 8.34 (dd, J = 8.5, 1.2 Hz, 1H), 8.05 (d, J = 8.3 Hz, 1H), 7.51 (dd, J = 8.5, 4.2 Hz, 1H), 2.56 (t, J = 7.6 Hz, 2H), 1.86-1.72 (m, 2H), 1.51-1.41 (m, 2H), 0.98 (t, J = 7.4 Hz, 3H) | null | [('s', [], '1H', 9.8, 9.8), ('m', [], '1H', 8.76, 8.75), ('d', ['8.3Hz'], '1H', 8.55, 8.55), ('dd', ['8.5Hz', '1.2Hz'], '1H', 8.34, 8.34), ('d', ['8.3Hz'], '1H', 8.05, 8.05), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.51, 7.51), ('t', ['7.6Hz'], '2H', 2.56, 2.56), ('m', [], '2H', 1.86, 1.72), ('m', [], '2H', 1.51, 1.41), ('t',... | 15 | 10 | 15 |
10.1021_acs.orglett.3c03688 | CCCCC(=O)Nc1ccc(I)c2cccnc12 | 4 | 4 | [0.14967859 0.66562506 0.28637767 0.71250006] | [0.14636467 0.7371094 0.84891508 0.86250004] | 13C NMR | 101 MHz | CDCl3 | 172.1, 148.8, 140.8, 139.0, 138.4, 135.6, 129.7, 123.2, 117.9, 89.1, 38.1, 27.8, 22.5, 14.0 | null | [(172.1, None, None), (148.8, None, None), (140.8, None, None), (139.0, None, None), (138.4, None, None), (135.6, None, None), (129.7, None, None), (123.2, None, None), (117.9, None, None), (89.1, None, None), (38.1, None, None), (27.8, None, None), (22.5, None, None), (14.0, None, None)] | 14 | 14 | 14 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1ccc(I)c2cccnc12 | 5 | 5 | [0.14912627 0.59101567 0.29963334 0.63710939] | [0.14912627 0.66328129 0.84725811 0.75078128] | 1H NMR | 400 MHz | CDCl3 | 9.73 (s, 1H), 8.67 (dd, J = 4.2, 1.3 Hz, 1H), 8.51 (d, J = 8.3 Hz, 1H), 8.29 (dd, J = 8.5, 1.3 Hz, 1H), 8.01 (d, J = 8.3 Hz, 1H), 7.45 (dd, J = 8.5, 4.2 Hz, 1H), 7.29-7.23 (m, 4H), 7.20-7.15 (m, 1H), 3.11 (t, J = 7.6 Hz, 2H), 2.85 (t, J = 8.4 Hz, 2H) | null | [('s', [], '1H', 9.73, 9.73), ('dd', ['4.2Hz', '1.3Hz'], '1H', 8.67, 8.67), ('d', ['8.3Hz'], '1H', 8.51, 8.51), ('dd', ['8.5Hz', '1.3Hz'], '1H', 8.29, 8.29), ('d', ['8.3Hz'], '1H', 8.01, 8.01), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.45, 7.45), ('m', [], '4H', 7.29, 7.23), ('m', [], '1H', 7.2, 7.15), ('t', ['7.6Hz'], '2H', ... | 15 | 11 | 15 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1ccc(I)c2cccnc12 | 5 | 5 | [0.14912627 0.59101567 0.29963334 0.63710939] | [0.14912627 0.66328129 0.84725811 0.75078128] | 13C NMR | 101 MHz | CDCl3 | 170.9, 148.7, 140.7, 138.9, 138.3, 135.4, 129.6, 128.7, 128.5, 126.4, 123.2, 117.9, 89.3, 39.8, 31.5 | null | [(170.9, None, None), (148.7, None, None), (140.7, None, None), (138.9, None, None), (138.3, None, None), (135.4, None, None), (129.6, None, None), (128.7, None, None), (128.5, None, None), (126.4, None, None), (123.2, None, None), (117.9, None, None), (89.3, None, None), (39.8, None, None), (31.5, None, None)] | 18 | 16 | 15 |
10.1021_acs.orglett.3c03688 | O=C(CCCc1ccccc1)Nc1ccc(I)c2cccnc12 | 5 | 5 | [0.14967859 0.81250007 0.31592676 0.85937507] | [0.14857395 0.88750003 0.84836274 0.90000006] | 1H NMR | 400 MHz | CDCl3 | 9.78 (s, 1H), 8.75 (dd, J = 4.2, 1.4 Hz, 1H), 8.56 (d, J = 8.3 Hz, 1H), 8.36 (dd, J = 8.5, 1.4 Hz, 1H), 8.06 (d, J = 8.3 Hz, 1H), 7.52 (dd, J = 8.5, 4.2 Hz, 1H), 7.30 (t, J = 7.3 Hz, 2H), 7.25-7.19 (m, 3H), 2.76 (t, J = 7.5 Hz, 2H), 2.57 (t, J = 7.5 Hz, 2H), 2.20-2.12 (m, 2H) | null | [('s', [], '1H', 9.78, 9.78), ('dd', ['4.2Hz', '1.4Hz'], '1H', 8.75, 8.75), ('d', ['8.3Hz'], '1H', 8.56, 8.56), ('dd', ['8.5Hz', '1.4Hz'], '1H', 8.36, 8.36), ('d', ['8.3Hz'], '1H', 8.06, 8.06), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.52, 7.52), ('t', ['7.3Hz'], '2H', 7.3, 7.3), ('m', [], '3H', 7.25, 7.19), ('t', ['7.5Hz'], ... | 17 | 12 | 17 |
10.1021_acs.orglett.3c03688 | O=C(CCCc1ccccc1)Nc1ccc(I)c2cccnc12 | 5 | 5 | [0.14967859 0.81250007 0.31592676 0.85937507] | [0.14857395 0.88750003 0.84836274 0.90000006] | 13C NMR | 101 MHz | CDCl3 | 171.6, 148.8, 141.5, 140.8, 139.0, 138.4, 135.5, 129.7, 128.7, 128.6, 126.1, 123.3, 117.9, 89.2, 37.4, 35.3, 27.0 | null | [(171.6, None, None), (148.8, None, None), (141.5, None, None), (140.8, None, None), (139.0, None, None), (138.4, None, None), (135.5, None, None), (129.7, None, None), (128.7, None, None), (128.6, None, None), (126.1, None, None), (123.3, None, None), (117.9, None, None), (89.2, None, None), (37.4, None, None), (35.3,... | 19 | 17 | 17 |
10.1021_acs.orglett.3c03688 | CC(C)CCCC(=O)Nc1ccc(I)c2cccnc12 | 6 | 6 | [0.1488501 0.51640628 0.3018426 0.56328128] | [0.1474693 0.58984379 0.84891508 0.71406254] | 1H NMR | 400 MHz | CDCl3 | 9.78 (s, 1H), 8.74 (dd, J = 4.1, 1.1 Hz, 1H), 8.54 (d, J = 8.3 Hz, 1H), 8.32 (dd, J = 8.5, 1.2 Hz, 1H), 8.03 (d, J = 8.3 Hz, 1H), 7.50 (dd, J = 8.5, 4.2 Hz, 1H), 2.53 (t, J = 7.6 Hz, 2H), 1.84-1.76 (m, 2H), 1.66-1.56 (m, 1H), 1.33-1.24 (m, 2H), 0.91 (d, J = 6.6 Hz, 6H) | null | [('s', [], '1H', 9.78, 9.78), ('dd', ['4.1Hz', '1.1Hz'], '1H', 8.74, 8.74), ('d', ['8.3Hz'], '1H', 8.54, 8.54), ('dd', ['8.5Hz', '1.2Hz'], '1H', 8.32, 8.32), ('d', ['8.3Hz'], '1H', 8.03, 8.03), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.5, 7.5), ('t', ['7.6Hz'], '2H', 2.53, 2.53), ('m', [], '2H', 1.84, 1.76), ('m', [], '1H', 1... | 19 | 11 | 19 |
10.1021_acs.orglett.3c03688 | CC(C)CCCC(=O)Nc1ccc(I)c2cccnc12 | 6 | 6 | [0.1488501 0.51640628 0.3018426 0.56328128] | [0.1474693 0.58984379 0.84891508 0.71406254] | 13C NMR | 101 MHz | CDCl3 | 172.0, 148.7, 140.8, 139.0, 138.4, 135.5, 129.6, 123.2, 117.8, 89.1, 38.6, 28.0, 23.5, 22.6 | null | [(172.0, None, None), (148.7, None, None), (140.8, None, None), (139.0, None, None), (138.4, None, None), (135.5, None, None), (129.6, None, None), (123.2, None, None), (117.8, None, None), (89.1, None, None), (38.6, None, None), (28.0, None, None), (23.5, None, None), (22.6, None, None)] | 16 | 15 | 14 |
10.1021_acs.orglett.3c03688 | CC(C)CCC(=O)Nc1ccc(I)c2cccnc12 | 6 | 6 | [0.14912627 0.75703129 0.28720615 0.80390629] | [0.14802163 0.83125004 0.84836274 0.90000006] | 1H NMR | 400 MHz | CDCl3 | 9.77 (s, 1H), 8.73 (dd, J = 4.2, 1.5 Hz, 1H), 8.53 (d, J = 8.3 Hz, 1H), 8.31 (dd, J = 8.5, 1.5 Hz, 1H), 8.02 (d, J = 8.3 Hz, 1H), 7.49 (dd, J = 8.5, 4.2 Hz, 1H), 2.57-2.53 (m, 2H), 1.73-1.63 (m, 3H), 0.96 (d, J = 6.3 Hz, 6H) | null | [('s', [], '1H', 9.77, 9.77), ('dd', ['4.2Hz', '1.5Hz'], '1H', 8.73, 8.73), ('d', ['8.3Hz'], '1H', 8.53, 8.53), ('dd', ['8.5Hz', '1.5Hz'], '1H', 8.31, 8.31), ('d', ['8.3Hz'], '1H', 8.02, 8.02), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.49, 7.49), ('m', [], '2H', 2.57, 2.53), ('m', [], '3H', 1.73, 1.63), ('d', ['6.3Hz'], '6H',... | 17 | 10 | 17 |
10.1021_acs.orglett.3c03688 | CC(C)CCC(=O)Nc1ccc(I)c2cccnc12 | 6 | 6 | [0.14912627 0.75703129 0.28720615 0.80390629] | [0.14802163 0.83125004 0.84836274 0.90000006] | 13C NMR | 101 MHz | CDCl3 | 172.2, 148.7, 140.7, 139.0, 138.3, 135.5, 129.6, 123.2, 117.8, 89.1, 36.4, 34.4, 27.9, 22.5 | null | [(172.2, None, None), (148.7, None, None), (140.7, None, None), (139.0, None, None), (138.3, None, None), (135.5, None, None), (129.6, None, None), (123.2, None, None), (117.8, None, None), (89.1, None, None), (36.4, None, None), (34.4, None, None), (27.9, None, None), (22.5, None, None)] | 15 | 14 | 14 |
10.1021_acs.orglett.3c03688 | O=C(Nc1ccc(I)c2cccnc12)C1CCCCC1 | 7 | 7 | [0.14940243 0.44375001 0.27201737 0.48906253] | [0.1474693 0.51562504 0.84946742 0.62109375] | 1H NMR | 400 MHz | CDCl3 | 9.89 (s, 1H), 8.77 (d, J = 3.3 Hz, 1H), 8.57 (d, J = 8.3 Hz, 1H), 8.36 (d, J = 8.3 Hz, 1H), 8.06 (d, J = 8.3 Hz, 1H), 7.53 (dd, J = 8.5, 4.2 Hz, 1H), 2.47 (tt, J = 11.7, 3.4 Hz, 1H), 2.08 (d, J = 12.8 Hz, 2H), 1.90-1.86 (m, 2H), 1.74 (d, J = 11.3 Hz, 1H), 1.67-1.58 (m, 2H), 1.43-1.25 (m, 3H) | null | [('s', [], '1H', 9.89, 9.89), ('d', ['3.3Hz'], '1H', 8.77, 8.77), ('d', ['8.3Hz'], '1H', 8.57, 8.57), ('d', ['8.3Hz'], '1H', 8.36, 8.36), ('d', ['8.3Hz'], '1H', 8.06, 8.06), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.53, 7.53), ('tt', ['11.7Hz', '3.4Hz'], '1H', 2.47, 2.47), ('d', ['12.8Hz'], '2H', 2.08, 2.08), ('m', [], '2H', ... | 17 | 10 | 17 |
10.1021_acs.orglett.3c03688 | O=C(Nc1ccc(I)c2cccnc12)C1CCCCC1 | 7 | 7 | [0.14940243 0.44375001 0.27201737 0.48906253] | [0.1474693 0.51562504 0.84946742 0.62109375] | 13C NMR | 101 MHz | CDCl3 | 175.0, 148.8, 140.9, 139.2, 138.4, 135.7, 129.7, 123.2, 117.9, 89.1, 47.0, 29.8, 25.9, 25.9 | null | [(175.0, None, None), (148.8, None, None), (140.9, None, None), (139.2, None, None), (138.4, None, None), (135.7, None, None), (129.7, None, None), (123.2, None, None), (117.9, None, None), (89.1, None, None), (47.0, None, None), (29.8, None, None), (25.9, None, None), (25.9, None, None)] | 16 | 14 | 14 |
10.1021_acs.orglett.3c03688 | O=C(Nc1ccc(I)c2cccnc12)C1CCCC1 | 7 | 7 | [0.15050707 0.70273443 0.27008423 0.74882815] | [0.14802163 0.77500006 0.84946742 0.89843757] | 1H NMR | 400 MHz | CDCl3 | 9.84 (s, 1H), 8.73 (d, J = 3.2 Hz, 1H), 8.54 (d, J = 8.3 Hz, 1H), 8.31 (d, J = 8.5 Hz, 1H), 8.03 (d, J = 8.3 Hz, 1H), 7.49 (dd, J = 8.5, 4.2 Hz, 1H), 2.93 (p, J = 8.1 Hz, 1H), 2.12-1.89 (m, 4H), 1.89-1.74 (m, 2H), 1.74-1.55 (m, 2H) | null | [('s', [], '1H', 9.84, 9.84), ('d', ['3.2Hz'], '1H', 8.73, 8.73), ('d', ['8.3Hz'], '1H', 8.54, 8.54), ('d', ['8.5Hz'], '1H', 8.31, 8.31), ('d', ['8.3Hz'], '1H', 8.03, 8.03), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.49, 7.49), ('p', ['8.1Hz'], '1H', 2.93, 2.93), ('m', [], '4H', 2.12, 1.89), ('m', [], '2H', 1.89, 1.74), ('m', ... | 15 | 9 | 15 |
10.1021_acs.orglett.3c03688 | O=C(Nc1ccc(I)c2cccnc12)C1CCCC1 | 7 | 7 | [0.15050707 0.70273443 0.27008423 0.74882815] | [0.14802163 0.77500006 0.84946742 0.89843757] | 13C NMR | 101 MHz | CDCl3 | 175.2, 148.7, 140.8, 139.1, 138.4, 135.7, 129.6, 123.2, 117.8, 89.0, 47.5, 30.7, 26.1 | null | [(175.2, None, None), (148.7, None, None), (140.8, None, None), (139.1, None, None), (138.4, None, None), (135.7, None, None), (129.6, None, None), (123.2, None, None), (117.8, None, None), (89.0, None, None), (47.5, None, None), (30.7, None, None), (26.1, None, None)] | 15 | 13 | 13 |
10.1021_acs.orglett.3c03688 | CCC(CC)C(=O)Nc1ccc(I)c2cccnc12 | 8 | 8 | [0.14912627 0.1279297 0.27091271 0.17441407] | [0.14691699 0.20078125 0.85057205 0.32382815] | 1H NMR | 400 MHz | CDCl3 | 9.84 (s, 1H), 8.76 (dd, J = 4.1, 1.2 Hz, 1H), 8.61 (d, J = 8.3 Hz, 1H), 8.33 (dd, J = 8.5, 1.2 Hz, 1H), 8.05 (d, J = 8.3 Hz, 1H), 7.50 (dd, J = 8.5, 4.2 Hz, 1H), 2.37-2.25 (m, 1H), 1.87-1.72 (m, 2H), 1.71-1.57 (m, 2H), 0.99 (t, J = 7.4 Hz, 6H) | null | [('s', [], '1H', 9.84, 9.84), ('dd', ['4.1Hz', '1.2Hz'], '1H', 8.76, 8.76), ('d', ['8.3Hz'], '1H', 8.61, 8.61), ('dd', ['8.5Hz', '1.2Hz'], '1H', 8.33, 8.33), ('d', ['8.3Hz'], '1H', 8.05, 8.05), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.5, 7.5), ('m', [], '1H', 2.37, 2.25), ('m', [], '2H', 1.87, 1.72), ('m', [], '2H', 1.71, 1.... | 17 | 9 | 17 |
10.1021_acs.orglett.3c03688 | CCC(CC)C(=O)Nc1ccc(I)c2cccnc12 | 8 | 8 | [0.14912627 0.1279297 0.27091271 0.17441407] | [0.14691699 0.20078125 0.85057205 0.32382815] | 13C NMR | 101 MHz | CDCl3 | 174.9, 148.8, 140.8, 139.1, 138.4, 135.5, 129.6, 123.2, 117.9, 89.2, 52.7, 25.9, 12.2 | null | [(174.9, None, None), (148.8, None, None), (140.8, None, None), (139.1, None, None), (138.4, None, None), (135.5, None, None), (129.6, None, None), (123.2, None, None), (117.9, None, None), (89.2, None, None), (52.7, None, None), (25.9, None, None), (12.2, None, None)] | 15 | 13 | 13 |
10.1021_acs.orglett.3c03688 | c1(-c2ccc(NC(=O)CCCCC)c3ncccc23)ccccc1 | 8 | 8 | [0.14967859 0.36953126 0.30985125 0.41601566] | [0.14691699 0.44140629 0.84836274 0.52968751] | 1H NMR | 400 MHz | CDCl3 | 9.91 (s, 1H), 8.85 (d, J = 8.0 Hz, 1H), 8.81 (d, J = 2.8 Hz, 1H), 8.29 (d, J = 8.5 Hz, 1H), 7.52-7.39 (m, 7H), 2.59 (t, J = 7.6 Hz, 2H), 1.89-1.81 (m, 2H), 1.46-1.42 (m, 4H), 0.94 (t, J = 6.9 Hz, 3H) | null | [('s', [], '1H', 9.91, 9.91), ('d', ['8.0Hz'], '1H', 8.85, 8.85), ('d', ['2.8Hz'], '1H', 8.81, 8.81), ('d', ['8.5Hz'], '1H', 8.29, 8.29), ('m', [], '7H', 7.52, 7.39), ('t', ['7.6Hz'], '2H', 2.59, 2.59), ('m', [], '2H', 1.89, 1.81), ('m', [], '4H', 1.46, 1.42), ('t', ['6.9Hz'], '3H', 0.94, 0.94)] | 22 | 14 | 22 |
10.1021_acs.orglett.3c03688 | c1(-c2ccc(NC(=O)CCCCC)c3ncccc23)ccccc1 | 8 | 8 | [0.14967859 0.36953126 0.30985125 0.41601566] | [0.14691699 0.44140629 0.84836274 0.52968751] | 13C NMR | 101 MHz | CDCl3 | 172.0, 147.9, 139.3, 138.4, 134.8, 134.1, 134.1, 130.2, 128.6, 128.0, 127.5, 126.3, 121.5, 116.0, 38.3, 31.5, 25.5, 22.6, 14.1 | null | [(172.0, None, None), (147.9, None, None), (139.3, None, None), (138.4, None, None), (134.8, None, None), (134.1, None, None), (134.1, None, None), (130.2, None, None), (128.6, None, None), (128.0, None, None), (127.5, None, None), (126.3, None, None), (121.5, None, None), (116.0, None, None), (38.3, None, None), (31.5... | 21 | 19 | 19 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2cccnc12 | 8 | 8 | [0.14940243 0.61015628 0.35873152 0.67421876] | [0.14691699 0.70078131 0.85057205 0.85234378] | 1H NMR | 400 MHz | CDCl3 | 9.92 (s, 1H), 8.87-8.84 (m, 2H), 8.20 (d, J = 8.3 Hz, 1H), 7.75 (d, J = 7.6 Hz, 2H), 7.56 (d, J = 7.6 Hz, 2H), 7.49 (d, J = 7.9 Hz, 1H), 7.43 (dd, J = 8.1, 3.7 Hz, 1H), 2.58 (t, J = 7.3 Hz, 2H), 1.85-1.83 (m, 2H), 1.42 (d, J = 2.2 Hz, 4H), 0.95-0.94 (m, 3H) | null | [('s', [], '1H', 9.92, 9.92), ('m', [], '2H', 8.87, 8.84), ('d', ['8.3Hz'], '1H', 8.2, 8.2), ('d', ['7.6Hz'], '2H', 7.75, 7.75), ('d', ['7.6Hz'], '2H', 7.56, 7.56), ('d', ['7.9Hz'], '1H', 7.49, 7.49), ('dd', ['8.1Hz', '3.7Hz'], '1H', 7.43, 7.43), ('t', ['7.3Hz'], '2H', 2.58, 2.58), ('m', [], '2H', 1.85, 1.83), ('d', ['... | 21 | 13 | 21 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2cccnc12 | 8 | 8 | [0.14940243 0.61015628 0.35873152 0.67421876] | [0.14691699 0.70078131 0.85057205 0.85234378] | 13C NMR | 101 MHz | CDCl3 | 172.1, 148.2, 143.0, 138.4, 134.8, 134.3, 132.4, 130.5, 129.9, 129.6, 128.4, 126.1, 125.6, 125.6, 123.0, 121.9, 116.0, 38.3, 31.6, 25.5, 22.6, 14.1 | null | [(172.1, None, None), (148.2, None, None), (143.0, None, None), (138.4, None, None), (134.8, None, None), (134.3, None, None), (132.4, None, None), (130.5, None, None), (129.9, None, None), (129.6, None, None), (128.4, None, None), (126.1, None, None), (125.6, None, None), (125.6, None, None), (123.0, None, None), (121... | 22 | 20 | 22 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2cccnc12 | 8 | 8 | [0.14940243 0.61015628 0.35873152 0.67421876] | [0.14691699 0.70078131 0.85057205 0.85234378] | 19F NMR | 376 MHz | CDCl3 | -62.38 | null | [(-62.38, None, None)] | 3 | 1 | 1 |
10.1021_acs.orglett.3c03688 | O(C)c1ccccc1-c1ccc(NC(=O)CCCCC)c2ncccc12 | 9 | 9 | [0.14940243 0.3511719 0.33608642 0.41289065] | [0.1474693 0.44140629 0.84946742 0.6039063 ] | 1H NMR | 400 MHz | CDCl3 | 9.90 (s, 1H), 8.84 (d, J = 7.9 Hz, 1H), 8.78 (dd, J = 4.1, 1.5 Hz, 1H), 7.93 (dd, J = 8.5, 1.4 Hz, 1H), 7.47 (d, J = 7.9 Hz, 1H), 7.45-7.40 (m, 1H), 7.35 (dd, J = 8.5, 4.2 Hz, 1H), 7.28-7.25 (m, 1H), 7.07 (t, J = 7.4 Hz, 1H), 7.03 (d, J = 8.3 Hz, 1H), 3.68 (s, 3H), 2.58 (t, J = 7.6 Hz, 2H), 1.88-1.80 (m, 2H), 1.47-1.35... | null | [('s', [], '1H', 9.9, 9.9), ('d', ['7.9Hz'], '1H', 8.84, 8.84), ('dd', ['4.1Hz', '1.5Hz'], '1H', 8.78, 8.78), ('dd', ['8.5Hz', '1.4Hz'], '1H', 7.93, 7.93), ('d', ['7.9Hz'], '1H', 7.47, 7.47), ('m', [], '1H', 7.45, 7.4), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.35, 7.35), ('m', [], '1H', 7.28, 7.25), ('t', ['7.4Hz'], '1H', 7.... | 24 | 16 | 24 |
10.1021_acs.orglett.3c03688 | O(C)c1ccccc1-c1ccc(NC(=O)CCCCC)c2ncccc12 | 9 | 9 | [0.14940243 0.3511719 0.33608642 0.41289065] | [0.1474693 0.44140629 0.84946742 0.6039063 ] | 13C NMR | 101 MHz | CDCl3 | 172.0, 157.2, 147.8, 138.2, 135.6, 134.1, 132.2, 130.9, 129.4, 128.6, 128.1, 126.9, 121.3, 120.9, 116.1, 111.1, 55.6, 38.4, 31.6, 25.6, 22.6, 14.1 | null | [(172.0, None, None), (157.2, None, None), (147.8, None, None), (138.2, None, None), (135.6, None, None), (134.1, None, None), (132.2, None, None), (130.9, None, None), (129.4, None, None), (128.6, None, None), (128.1, None, None), (126.9, None, None), (121.3, None, None), (120.9, None, None), (116.1, None, None), (111... | 22 | 22 | 22 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccnc12 | 9 | 9 | [0.1502309 0.63125001 0.36066463 0.70781253] | [0.14636467 0.73828132 0.85167668 0.89843757] | 1H NMR | 400 MHz | CDCl3 | 9.94 (s, 1H), 8.90-8.87 (m, 2H), 8.10 (dd, J = 8.6, 1.5 Hz, 1H), 7.95 (s, 1H), 7.91 (s, 2H), 7.54-7.52 (m, 1H), 7.52-7.48 (m, 1H), 2.60 (t, J = 7.6 Hz, 2H), 1.89-1.82 (m, 2H), 1.49-1.36 (m, 4H), 0.94 (t, J = 7.0 Hz, 3H) | null | [('s', [], '1H', 9.94, 9.94), ('m', [], '2H', 8.9, 8.87), ('dd', ['8.6Hz', '1.5Hz'], '1H', 8.1, 8.1), ('s', [], '1H', 7.95, 7.95), ('s', [], '2H', 7.91, 7.91), ('m', [], '1H', 7.54, 7.52), ('m', [], '1H', 7.52, 7.48), ('t', ['7.6Hz'], '2H', 2.6, 2.6), ('m', [], '2H', 1.89, 1.82), ('m', [], '4H', 1.49, 1.36), ('t', ['7.... | 20 | 13 | 20 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccnc12 | 9 | 9 | [0.1502309 0.63125001 0.36066463 0.70781253] | [0.14636467 0.73828132 0.85167668 0.89843757] | 13C NMR | 101 MHz | CDCl3 | 172.3, 148.5, 141.5, 138.4, 135.5, 133.6, 132.7, 132.3, 132.0, 131.7, 130.6, 130.2, 129.0, 125.9, 124.8, 122.4, 122.1, 121.5, 115.9, 38.4, 31.6, 25.4, 22.6, 14.1 | null | [(172.3, None, None), (148.5, None, None), (141.5, None, None), (138.4, None, None), (135.5, None, None), (133.6, None, None), (132.7, None, None), (132.3, None, None), (132.0, None, None), (131.7, None, None), (130.6, None, None), (130.2, None, None), (129.0, None, None), (125.9, None, None), (124.8, None, None), (122... | 23 | 20 | 24 |
10.1021_acs.orglett.3c03688 | CCCCCC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccnc12 | 9 | 9 | [0.1502309 0.63125001 0.36066463 0.70781253] | [0.14636467 0.73828132 0.85167668 0.89843757] | 19F NMR | 376 MHz | CDCl3 | -62.73 | null | [(-62.73, None, None)] | 6 | 1 | 1 |
10.1021_acs.orglett.3c03688 | c1(-c2ccc(NC(=O)CCc3ccccc3)c3ncccc23)ccccc1 | 10 | 10 | [0.14967859 0.68203126 0.31040356 0.72890626] | [0.14802163 0.75625001 0.84891508 0.84375007] | 1H NMR | 400 MHz | CDCl3 | 9.89 (s, 1H), 8.84 (d, J = 8.0 Hz, 1H), 8.78 (dd, J = 4.2, 1.7 Hz, 1H), 8.28 (dd, J = 8.5, 1.7 Hz, 1H), 7.55-7.38 (m, 7H), 7.35-7.28 (m, 4H), 7.22 (tt, J = 5.2, 3.2 Hz, 1H), 3.22-3.14 (m, 2H), 2.96-2.88 (m, 2H) | null | [('s', [], '1H', 9.89, 9.89), ('d', ['8.0Hz'], '1H', 8.84, 8.84), ('dd', ['4.2Hz', '1.7Hz'], '1H', 8.78, 8.78), ('dd', ['8.5Hz', '1.7Hz'], '1H', 8.28, 8.28), ('m', [], '7H', 7.55, 7.38), ('m', [], '4H', 7.35, 7.28), ('tt', ['5.2Hz', '3.2Hz'], '1H', 7.22, 7.22), ('m', [], '2H', 3.22, 3.14), ('m', [], '2H', 2.96, 2.88)] | 20 | 14 | 20 |
10.1021_acs.orglett.3c03688 | c1(-c2ccc(NC(=O)CCc3ccccc3)c3ncccc23)ccccc1 | 10 | 10 | [0.14967859 0.68203126 0.31040356 0.72890626] | [0.14802163 0.75625001 0.84891508 0.84375007] | 13C NMR | 101 MHz | CDCl3 | 170.9, 148.0, 140.9, 139.3, 138.4, 134.9, 134.4, 133.9, 130.2, 128.7, 128.6, 128.6, 128.1, 127.6, 126.4, 121.6, 116.2, 39.9, 31.6 | null | [(170.9, None, None), (148.0, None, None), (140.9, None, None), (139.3, None, None), (138.4, None, None), (134.9, None, None), (134.4, None, None), (133.9, None, None), (130.2, None, None), (128.7, None, None), (128.6, None, None), (128.6, None, None), (128.1, None, None), (127.6, None, None), (126.4, None, None), (121... | 24 | 20 | 19 |
10.1021_acs.orglett.3c03688 | O(C)c1ccccc1-c1ccc(NC(=O)CCc2ccccc2)c2ncccc12 | 11 | 11 | [0.14940243 0.09018555 0.33332483 0.15195314] | [0.1474693 0.1810547 0.84946742 0.30644534] | 1H NMR | 400 MHz | CDCl3 | 9.89 (s, 1H), 8.83 (d, J = 7.9 Hz, 1H), 8.75 (dd, J = 4.2, 1.7 Hz, 1H), 7.92 (dd, J = 8.5, 1.7 Hz, 1H), 7.50-7.38 (m, 2H), 7.37-7.25 (m, 6H), 7.20 (tt, J = 5.2, 3.2 Hz, 1H), 7.11-6.99 (m, 2H), 3.68 (s, 3H), 3.22-3.12 (m, 2H), 2.99-2.84 (m, 2H) | null | [('s', [], '1H', 9.89, 9.89), ('d', ['7.9Hz'], '1H', 8.83, 8.83), ('dd', ['4.2Hz', '1.7Hz'], '1H', 8.75, 8.75), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.92, 7.92), ('m', [], '2H', 7.5, 7.38), ('m', [], '6H', 7.37, 7.25), ('tt', ['5.2Hz', '3.2Hz'], '1H', 7.2, 7.2), ('m', [], '2H', 7.11, 6.99), ('s', [], '3H', 3.68, 3.68), ('m... | 22 | 16 | 22 |
10.1021_acs.orglett.3c03688 | O(C)c1ccccc1-c1ccc(NC(=O)CCc2ccccc2)c2ncccc12 | 11 | 11 | [0.14940243 0.09018555 0.33332483 0.15195314] | [0.1474693 0.1810547 0.84946742 0.30644534] | 13C NMR | 101 MHz | CDCl3 | 170.8, 157.2, 147.8, 140.9, 138.2, 135.5, 134.0, 132.2, 131.1, 129.4, 128.7, 128.6, 128.5, 128.1, 126.9, 126.3, 121.3, 120.9, 116.2, 111.1, 55.6, 39.8, 31.6 | null | [(170.8, None, None), (157.2, None, None), (147.8, None, None), (140.9, None, None), (138.2, None, None), (135.5, None, None), (134.0, None, None), (132.2, None, None), (131.1, None, None), (129.4, None, None), (128.7, None, None), (128.6, None, None), (128.5, None, None), (128.1, None, None), (126.9, None, None), (126... | 25 | 23 | 23 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1ccc(-c2ccc(F)cc2F)c2cccnc12 | 11 | 11 | [0.14967859 0.33046876 0.3479613 0.39453129] | [0.1474693 0.42304688 0.85001971 0.56718753] | 1H NMR | 400 MHz | CDCl3 | 9.90 (s, 1H), 8.85 (d, J = 8.0 Hz, 1H), 8.79 (dd, J = 4.1, 1.3 Hz, 1H), 7.97 (d, J = 8.5 Hz, 1H), 7.48 (d, J = 8.0 Hz, 1H), 7.43 (dd, J = 8.5, 4.2 Hz, 1H), 7.38-7.29 (m, 5H), 7.25-7.19 (m, 1H), 7.05-6.95 (m, 2H), 3.17 (t, J = 7.2 Hz, 2H), 2.92 (t, J = 8.0 Hz, 2H) | null | [('s', [], '1H', 9.9, 9.9), ('d', ['8.0Hz'], '1H', 8.85, 8.85), ('dd', ['4.1Hz', '1.3Hz'], '1H', 8.79, 8.79), ('d', ['8.5Hz'], '1H', 7.97, 7.97), ('d', ['8.0Hz'], '1H', 7.48, 7.48), ('dd', ['8.5Hz', '4.2Hz'], '1H', 7.43, 7.43), ('m', [], '5H', 7.38, 7.29), ('m', [], '1H', 7.25, 7.19), ('m', [], '2H', 7.05, 6.95), ('t',... | 18 | 14 | 18 |
10.1021_acs.orglett.3c03688 | O=C(CCc1ccccc1)Nc1ccc(-c2ccc(F)cc2F)c2cccnc12 | 11 | 11 | [0.14967859 0.33046876 0.3479613 0.39453129] | [0.1474693 0.42304688 0.85001971 0.56718753] | 19F NMR | 376 MHz | CDCl3 | -110.61,-111.60 | null | [(-110.61, None, None), (-111.6, None, None)] | 2 | 2 | 2 |
10.1021_acs.orglett.3c03688 | C(CCC)CC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccnc12 | 11 | 11 | [0.15078323 0.61054692 0.34740898 0.68789064] | [0.1474693 0.71953128 0.84946742 0.87031254] | 1H NMR | 400 MHz | CDCl3 | 9.94 (s, 1H), 8.90-8.87 (m, 2H), 8.10 (dd, J = 8.5, 1.5 Hz, 1H), 7.95 (s, 1H), 7.91 (s, 2H), 7.54-7.52 (m, 2H), 2.60 (t, J = 7.6 Hz, 2H), 1.89-1.82 (m, 2H), 1.49-1.36 (m, 4H), 0.94 (t, J = 7.0 Hz, 3H) | null | [('s', [], '1H', 9.94, 9.94), ('m', [], '2H', 8.9, 8.87), ('dd', ['8.5Hz', '1.5Hz'], '1H', 8.1, 8.1), ('s', [], '1H', 7.95, 7.95), ('s', [], '2H', 7.91, 7.91), ('m', [], '2H', 7.54, 7.52), ('t', ['7.6Hz'], '2H', 2.6, 2.6), ('m', [], '2H', 1.89, 1.82), ('m', [], '4H', 1.49, 1.36), ('t', ['7.0Hz'], '3H', 0.94, 0.94)] | 20 | 13 | 20 |
10.1021_acs.orglett.3c03688 | C(CCC)CC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccnc12 | 11 | 11 | [0.15078323 0.61054692 0.34740898 0.68789064] | [0.1474693 0.71953128 0.84946742 0.87031254] | 13C NMR | 101 MHz | CDCl3 | 172.3, 148.5, 141.5, 138.4, 135.5, 133.6, 132.7, 132.3, 131.7, 130.6, 130.2, 129.0, 125.9, 124.8, 122.4, 122.1, 121.5, 115.9, 38.4, 31.6, 25.4, 22.6, 14.1 | null | [(172.3, None, None), (148.5, None, None), (141.5, None, None), (138.4, None, None), (135.5, None, None), (133.6, None, None), (132.7, None, None), (132.3, None, None), (131.7, None, None), (130.6, None, None), (130.2, None, None), (129.0, None, None), (125.9, None, None), (124.8, None, None), (122.4, None, None), (122... | 23 | 20 | 23 |
10.1021_acs.orglett.3c03688 | C(CCC)CC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccnc12 | 11 | 11 | [0.15078323 0.61054692 0.34740898 0.68789064] | [0.1474693 0.71953128 0.84946742 0.87031254] | 19F NMR | 376 MHz | CDCl3 | -62.73 | null | [(-62.73, None, None)] | 6 | 1 | 1 |
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