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.4c01726 | CC1(C)O[C@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 | 15 | 15 | [0.42058828 0.0940918 0.57628681 0.21210938] | [0.11626839 0.28906252 0.88161773 0.328125 ] | 1H NMR | 400 MHz | CDCl3 | 4.44-4.32 (m, 4H), 3.66 (dd, J = 5.0, 2.5 Hz, 2H), 1.51 (s, 6H), 1.45 (s, 6H), 1.35 (s, 6H) | null | [('m', [], '4H', 4.44, 4.32), ('dd', ['5.0Hz', '2.5Hz'], '2H', 3.66, 3.66), ('s', [], '6H', 1.51, 1.51), ('s', [], '6H', 1.45, 1.45), ('s', [], '6H', 1.35, 1.35)] | 24 | 9 | 24 |
10.1021_acs.orglett.7b02791 | C(=O)(NCc1ccccc1)[C@H]1COC2(CCCCC2)O1 | 10 | 10 | [0.41755355 0.37695316 0.572203 0.46601563] | [0.1187487 0.48593752 0.87874031 0.60000001] | 1H NMR | 400 MHz | CDCl3 | 7.39-7.33 (m, 2H, ArH), 7.32-7.25 (m, 3H, ArH), 6.96 (brs, 1H, NH), 4.55 (dd, J = 7.5, 5.2 Hz, 1H), 4.52, 4.48 (ABq, J = 7.6 Hz, 2H), 4.32 (dd, J = 8.7, 7.7 Hz, 1H), 4.17-4.13 (m, 1H), 1.71-1.54 (m, 8H), 1.50-1.32 (m, 2H) | null | [('m', [], '2H', 7.39, 7.33), ('m', [], '3H', 7.32, 7.25), ('brs', [], '1H', 6.96, 6.96), ('dd', ['7.5Hz', '5.2Hz'], '1H', 4.55, 4.55), ('ABq', ['7.6Hz'], '2H', 4.48, 4.48), ('dd', ['8.7Hz', '7.7Hz'], '1H', 4.32, 4.32), ('m', [], '1H', 4.17, 4.13), ('m', [], '8H', 1.71, 1.54), ('m', [], '2H', 1.5, 1.32)] | 21 | 10 | 21 |
10.1021_acs.orglett.7b02791 | C(=O)(NCc1ccccc1)[C@H]1COC2(CCCCC2)O1 | 10 | 10 | [0.41755355 0.37695316 0.572203 0.46601563] | [0.1187487 0.48593752 0.87874031 0.60000001] | 13C NMR | 100 MHz | CDCl3 | 171.5, 137.9, 128.9, 127.7, 127.6, 111.8, 74.9, 67.6, 43.1, 35.9, 34.5, 25.1, 24.1, 23.8 | null | [(171.5, None, None), (137.9, None, None), (128.9, None, None), (127.7, None, None), (127.6, None, None), (111.8, None, None), (74.9, None, None), (67.6, None, None), (43.1, None, None), (35.9, None, None), (34.5, None, None), (25.1, None, None), (24.1, None, None), (23.8, None, None)] | 16 | 12 | 14 |
10.1021_acs.orglett.7b02791 | N(Cc1ccccc1)(Cc1ccccc1)C(=O)[C@H]1COC2(CCCCC2)O1 | 11 | 11 | [0.41755355 0.19257813 0.57662157 0.28359376] | [0.11764406 0.30371096 0.87818797 0.63671875] | 1H NMR | 400 MHz | CDCl3 | 7.37-7.32 (m, 2H, ArH), 7.32-7.26 (m, 3H, ArH), 7.24-7.22 (m, 1H, ArH), 7.23-7.17 (m, 4H, ArH), 4.79-4.65 (m, 3H), 4.59-4.48 (m, 2H), 4.41 (d, J = 16.0 Hz, 1H), 4.12 (dd, J = 8.0, 6.8 Hz, 1H), 1.69 (t, J = 6.0 Hz, 2H), 1.62-1.51 (m, 6H), 1.39-1.32 (m, 2H) | null | [('m', [], '2H', 7.37, 7.32), ('m', [], '3H', 7.32, 7.26), ('m', [], '1H', 7.24, 7.22), ('m', [], '4H', 7.23, 7.17), ('m', [], '3H', 4.79, 4.65), ('m', [], '2H', 4.59, 4.48), ('d', ['16.0Hz'], '1H', 4.41, 4.41), ('dd', ['8.0Hz', '6.8Hz'], '1H', 4.12, 4.12), ('t', ['6.0Hz'], '2H', 1.69, 1.69), ('m', [], '6H', 1.62, 1.51... | 27 | 9 | 27 |
10.1021_acs.orglett.7b02791 | N(Cc1ccccc1)(Cc1ccccc1)C(=O)[C@H]1COC2(CCCCC2)O1 | 11 | 11 | [0.41755355 0.19257813 0.57662157 0.28359376] | [0.11764406 0.30371096 0.87818797 0.63671875] | 13C NMR | 100 MHz | CDCl3 | 169.8, 136.9, 136.6, 128.8, 128.6, 128.3, 127.6, 127.4, 127.0, 111.3, 73.4, 66.2, 49.4, 48.0, 35.5, 35.2, 25.1, 23.9, 23.8 | null | [(169.8, None, None), (136.9, None, None), (136.6, None, None), (128.8, None, None), (128.6, None, None), (128.3, None, None), (127.6, None, None), (127.4, None, None), (127.0, None, None), (111.3, None, None), (73.4, None, None), (66.2, None, None), (49.4, None, None), (48.0, None, None), (35.5, None, None), (35.2, No... | 23 | 12 | 19 |
10.1021_acs.orglett.7b02791 | N(Cc1ccccc1)(Cc1ccccc1)C(=O)[C@@H](O)CO | 11 | 11 | [0.42418137 0.69218753 0.57165071 0.74531254] | [0.11709173 0.76718756 0.87818797 0.90468751] | 1H NMR | 400 MHz | CDCl3 | 7.49-7.28 (m, 5H, ArH), 7.26-7.16 (m, 5H, ArH), 4.89-4.76 (m, 1H), 4.69-4.51 (m, 2H), 4.50-4.38 (m, 2H), 4.29-4.17 (m, 1H), 3.94-3.73 (m, 2H), 2.99 (bs, 1H) | null | [('m', [], '5H', 7.49, 7.28), ('m', [], '5H', 7.26, 7.16), ('m', [], '1H', 4.89, 4.76), ('m', [], '2H', 4.69, 4.51), ('m', [], '2H', 4.5, 4.38), ('m', [], '1H', 4.29, 4.17), ('m', [], '2H', 3.94, 3.73), ('brs', [], '1H', 2.99, 2.99)] | 19 | 8 | 19 |
10.1021_acs.orglett.7b02791 | C(OCc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)Cc1ccccc1 | 12 | 12 | [0.42197211 0.26015626 0.5777262 0.31328128] | [0.11819637 0.33007812 0.87818797 0.41757815] | 1H NMR | 500 MHz | CDCl3 | 7.42-7.28 (m, 11H, ArH), 7.25-7.22 (m, 2H, ArH), 7.18 (d, J = 7.0 Hz, 2H, ArH), 5.10 (d, J = 15.0 Hz, 1H), 4.81-4.72 (m, 2H), 4.59, 4.57 (ABq, J = 12.0 Hz, 2H), 4.23 (dd, J = 17.0, 9.4 Hz, 2H), 3.98 (d, J = 8.0 Hz, 1H), 3.77 (dd, J = 11.0, 5.0 Hz, 1H), 3.71 (dd, J = 11.1, 5.5 Hz, 1H) | null | [('m', [], '11H', 7.42, 7.28), ('m', [], '2H', 7.25, 7.22), ('d', ['7.0Hz'], '2H', 7.18, 7.18), ('d', ['15.0Hz'], '1H', 5.1, 5.1), ('m', [], '2H', 4.81, 4.72), ('ABq', ['12.0Hz'], '2H', 4.57, 4.57), ('dd', ['17.0Hz', '9.4Hz'], '2H', 4.23, 4.23), ('d', ['8.0Hz'], '1H', 3.98, 3.98), ('dd', ['11.0Hz', '5.0Hz'], '1H', 3.77... | 25 | 11 | 25 |
10.1021_acs.orglett.7b02791 | C(OCc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)Cc1ccccc1 | 12 | 12 | [0.42197211 0.26015626 0.5777262 0.31328128] | [0.11819637 0.33007812 0.87818797 0.41757815] | 13C NMR | 125 MHz | CDCl3 | 173.4, 137.7, 136.5, 135.7, 129.1, 128.7, 128.5, 128.2, 128.0, 127.8, 127.7, 127.6, 126.8, 73.7, 73.1, 68.1, 49.2, 48.4 | null | [(173.4, None, None), (137.7, None, None), (136.5, None, None), (135.7, None, None), (129.1, None, None), (128.7, None, None), (128.5, None, None), (128.2, None, None), (128.0, None, None), (127.8, None, None), (127.7, None, None), (127.6, None, None), (126.8, None, None), (73.7, None, None), (73.1, None, None), (68.1,... | 24 | 13 | 18 |
10.1039_d0cc02223c | Cc1cc(O)ccc1B1OC(C)(C)C(C)(C)O1 | 9 | 9 | [0.62964426 0.10898438 0.79313079 0.18632814] | [0.11488246 0.23125001 0.88039733 0.39609377] | 1H NMR | 400 MHz | CDCl3 | 7.68 (t, J = 9.9 Hz, 1H), 6.66-6.58 (m, 2H), 5.24 (s, 1H), 2.49 (s, 3H), 1.33 (s, 12H) | null | [('t', ['9.9Hz'], '1H', 7.68, 7.68), ('m', [], '2H', 6.66, 6.58), ('s', [], '1H', 5.24, 5.24), ('s', [], '3H', 2.49, 2.49), ('s', [], '12H', 1.33, 1.33)] | 19 | 6 | 19 |
10.1039_d0cc02223c | Cc1cc(O)ccc1B1OC(C)(C)C(C)(C)O1 | 9 | 9 | [0.62964426 0.10898438 0.79313079 0.18632814] | [0.11488246 0.23125001 0.88039733 0.39609377] | 13C NMR | 101 MHz | CDCl3 | 157.80, 147.57, 138.02, 116.78, 111.83, 83.25, 24.82, 22.17 | null | [(157.8, None, None), (147.57, None, None), (138.02, None, None), (116.78, None, None), (111.83, None, None), (83.25, None, None), (24.82, None, None), (22.17, None, None)] | 13 | 9 | 8 |
10.1039_d0cc02223c | COCOc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cc1 | 10 | 10 | [0.60865611 0.12890626 0.76551482 0.18867188] | [0.11543478 0.25312501 0.88150191 0.43984376] | 1H NMR | 300 MHz | CDCl3 | 7.75 (d, J = 9.0 Hz, 1H), 6.90-6.82 (m, 2H), 5.21 (s, 2H), 3.49 (s, 3H), 2.56 (s, 3H), 1.36 (s, 12H) | null | [('d', ['9.0Hz'], '1H', 7.75, 7.75), ('m', [], '2H', 6.9, 6.82), ('s', [], '2H', 5.21, 5.21), ('s', [], '3H', 3.49, 3.49), ('s', [], '3H', 2.56, 2.56), ('s', [], '12H', 1.36, 1.36)] | 23 | 7 | 23 |
10.1039_d0cc02223c | COCOc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cc1 | 10 | 10 | [0.60865611 0.12890626 0.76551482 0.18867188] | [0.11543478 0.25312501 0.88150191 0.43984376] | 13C NMR | 101 MHz | CDCl3 | 159.27, 147.27, 137.75, 117.41, 112.32, 93.96, 83.18, 55.98, 24.88, 22.38 | null | [(159.27, None, None), (147.27, None, None), (137.75, None, None), (117.41, None, None), (112.32, None, None), (93.96, None, None), (83.18, None, None), (55.98, None, None), (24.88, None, None), (22.38, None, None)] | 15 | 11 | 10 |
10.1039_d0cc02223c | COCOc1cc(CBr)c(B2OC(C)(C)C(C)(C)O2)cc1 | 11 | 11 | [0.59208652 0.12929688 0.75115454 0.20058595] | [0.11543478 0.25976564 0.88039733 0.32421875] | 1H NMR | 200 MHz | CDCl3 | 7.77 (d, J = 8.3 Hz, 1H), 7.07 (d, J = 2.4 Hz, 1H), 6.96 (dd, J = 8.3, 2.4 Hz, 1H), 5.20 (s, 2H), 4.89 (s, 2H), 3.47 (s, 3H), 1.36 (s, 12H) | null | [('d', ['8.3Hz'], '1H', 7.77, 7.77), ('d', ['2.4Hz'], '1H', 7.07, 7.07), ('dd', ['8.3Hz', '2.4Hz'], '1H', 6.96, 6.96), ('s', [], '2H', 5.2, 5.2), ('s', [], '2H', 4.89, 4.89), ('s', [], '3H', 3.47, 3.47), ('s', [], '12H', 1.36, 1.36)] | 22 | 7 | 22 |
10.1039_d0cc02223c | COCOc1cc(CBr)c(B2OC(C)(C)C(C)(C)O2)cc1 | 11 | 11 | [0.59208652 0.12929688 0.75115454 0.20058595] | [0.11543478 0.25976564 0.88039733 0.32421875] | 13C NMR | 50 MHz | CDCl3 | 159.56, 146.36, 138.31, 117.81, 115.16, 83.68, 56.15, 56.03, 33.75, 24.89 | null | [(159.56, None, None), (146.36, None, None), (138.31, None, None), (117.81, None, None), (115.16, None, None), (83.68, None, None), (56.15, None, None), (56.03, None, None), (33.75, None, None), (24.89, None, None)] | 15 | 11 | 10 |
10.1039_d0cc02223c | O(c1ccc(C)c(Br)c1)COC | 13 | 13 | [0.5777262 0.10820313 0.71912 0.14765626] | [0.11598709 0.20234376 0.88039733 0.38906251] | 1H NMR | 400 MHz | CDCl3 | 7.28 (d, J = 2.5 Hz, 1H), 7.15 (dd, J = 8.4, 0.5 Hz, 1H), 6.92 (dd, J = 8.4, 2.5 Hz, 1H), 5.15 (s, 2H), 3.49 (s, 3H), 2.35 (s, 3H) | null | [('d', ['2.5Hz'], '1H', 7.28, 7.28), ('dd', ['8.4Hz', '0.5Hz'], '1H', 7.15, 7.15), ('dd', ['8.4Hz', '2.5Hz'], '1H', 6.92, 6.92), ('s', [], '2H', 5.15, 5.15), ('s', [], '3H', 3.49, 3.49), ('s', [], '3H', 2.35, 2.35)] | 11 | 6 | 11 |
10.1039_d0cc02223c | O(c1ccc(C)c(Br)c1)COC | 13 | 13 | [0.5777262 0.10820313 0.71912 0.14765626] | [0.11598709 0.20234376 0.88039733 0.38906251] | 13C NMR | 101 MHz | CDCl3 | 155.76, 131.06, 130.97, 124.76, 120.24, 115.42, 94.65, 55.99, 21.89 | null | [(155.76, None, None), (131.06, None, None), (130.97, None, None), (124.76, None, None), (120.24, None, None), (115.42, None, None), (94.65, None, None), (55.99, None, None), (21.89, None, None)] | 9 | 9 | 9 |
10.1039_d0cc02223c | COCOc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1 | 14 | 14 | [0.6484231 0.13007813 0.80970038 0.17109376] | [0.11598709 0.23789065 0.88039733 0.42265628] | 1H NMR | 300 MHz | CDCl3 | 7.41 (d, J = 2.8 Hz, 1H), 7.09 (d, J = 8.3 Hz, 1H), 7.01 (dd, J = 8.3, 2.8 Hz, 1H), 5.17 (s, 2H), 3.48 (s, 3H), 2.48 (s, 3H), 1.34 (s, 12H) | null | [('d', ['2.8Hz'], '1H', 7.41, 7.41), ('d', ['8.3Hz'], '1H', 7.09, 7.09), ('dd', ['8.3Hz', '2.8Hz'], '1H', 7.01, 7.01), ('s', [], '2H', 5.17, 5.17), ('s', [], '3H', 3.48, 3.48), ('s', [], '3H', 2.48, 2.48), ('s', [], '12H', 1.34, 1.34)] | 23 | 7 | 23 |
10.1039_d0cc02223c | COCOc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1 | 14 | 14 | [0.6484231 0.13007813 0.80970038 0.17109376] | [0.11598709 0.23789065 0.88039733 0.42265628] | 13C NMR | 101 MHz | CDCl3 | 154.38, 138.18, 130.85, 123.27, 118.84, 94.58, 83.47, 77.00, 55.87, 24.86, 21.23 | null | [(154.38, None, None), (138.18, None, None), (130.85, None, None), (123.27, None, None), (118.84, None, None), (94.58, None, None), (83.47, None, None), (77.0, None, None), (55.87, None, None), (24.86, None, None), (21.23, None, None)] | 15 | 11 | 11 |
10.1039_d0cc02223c | COCOc1cc(F)c(CBr)cc1 | 18 | 18 | [0.63516745 0.10800782 0.78097977 0.16816407] | [0.11598709 0.21562501 0.88039733 0.30078127] | 1H NMR | 400 MHz | CDCl3 | 7.32-7.24 (m, 1H), 6.83-6.76 (m, 2H), 5.16 (s, 2H), 4.50 (d, J = 0.7 Hz, 2H), 3.47 (s, 3H) | null | [('m', [], '1H', 7.32, 7.24), ('m', [], '2H', 6.83, 6.76), ('s', [], '2H', 5.16, 5.16), ('d', ['0.7Hz'], '2H', 4.5, 4.5), ('s', [], '3H', 3.47, 3.47)] | 10 | 6 | 10 |
10.1039_d0cc02223c | COCOc1cc(F)c(CBr)cc1 | 18 | 18 | [0.63516745 0.10800782 0.78097977 0.16816407] | [0.11598709 0.21562501 0.88039733 0.30078127] | 13C NMR | 101 MHz | CDCl3 | 161.20 (d, J = 250.1 Hz), 158.89 (d, J = 10.9 Hz), 131.67 (d, J = 5.0 Hz), 118.28 (d, J = 14.6 Hz), 112.33 (d, J = 3.1 Hz), 104.19 (d, J = 24.8 Hz), 94.42, 56.15, 26.09 (d, J = 3.9 Hz) | null | [(161.2, 'd', 250.1), (158.89, 'd', 10.9), (131.67, 'd', 5.0), (118.28, 'd', 14.6), (112.33, 'd', 3.1), (104.19, 'd', 24.8), (94.42, None, None), (56.15, None, None), (26.09, 'd', 3.9)] | 9 | 9 | 9 |
10.1039_d0cc02223c | COCOc1cc(F)c(CBr)cc1 | 18 | 18 | [0.63516745 0.10800782 0.78097977 0.16816407] | [0.11598709 0.21562501 0.88039733 0.30078127] | 19F NMR | 376 MHz | CDCl3 | -114.27 | null | [(-114.27, None, None)] | 1 | 1 | 1 |
10.1039_d0cc02223c | CC1(C)OB(c2c3c(CN(C)C)c[nH]c3ccc2)OC1(C)C | 21 | 21 | [0.62301638 0.12871095 0.73679422 0.20800783] | [0.11598709 0.25000002 0.88150191 0.43632815] | 1H NMR | 400 MHz | CDCl3 | 8.69 (br, 1 H), 7.57 (d, J = 8.0 Hz, 1 H), 7.73 (d, J = 8.0 Hz, 1 H), 7.21-7.11 (m, 2H), 3.98 (s, 2 H), 2.66 (s, 6 H), 1.43 (s, 12 H) | null | [('br', [], '1H', 8.69, 8.69), ('d', ['8.0Hz'], '1H', 7.57, 7.57), ('d', ['8.0Hz'], '1H', 7.73, 7.73), ('m', [], '2H', 7.21, 7.11), ('s', [], '2H', 3.98, 3.98), ('s', [], '6H', 2.66, 2.66), ('s', [], '12H', 1.43, 1.43)] | 25 | 8 | 25 |
10.1039_d0cc02223c | CC1(C)OB(c2c3c(CN(C)C)c[nH]c3ccc2)OC1(C)C | 21 | 21 | [0.62301638 0.12871095 0.73679422 0.20800783] | [0.11598709 0.25000002 0.88150191 0.43632815] | 13C NMR | 75 MHz | CDCl3 | 143.36, 134.89, 127.49, 124.10, 121.13, 114.12, 113.40, 83.25, 55.90, 45.34, 25.34 | null | [(143.36, None, None), (134.89, None, None), (127.49, None, None), (124.1, None, None), (121.13, None, None), (114.12, None, None), (113.4, None, None), (83.25, None, None), (55.9, None, None), (45.34, None, None), (25.34, None, None)] | 17 | 12 | 11 |
10.1039_d0cc02223c | CC1(C)OB(c2c3c(C[N+](C)(C)C)c[nH]c3ccc2)OC1(C)C.[I-] | 22 | 22 | [0.63516745 0.12949219 0.75667774 0.20898439] | [0.11598709 0.25039064 0.88094957 0.38828127] | 1H NMR | 300 MHz | DMSO-d6 | 11.84 (br, 1 H), 7.95-7.77 (m, 1 H), 7.74-7.66 (m, 2 H), 7.21 (t, J = 8.0, 1 H), 3.3 (s, 2 H), 3.00 (s, 9 H), 1.44 (s, 12 H) | null | [('br', [], '1H', 11.84, 11.84), ('m', [], '1H', 7.95, 7.77), ('m', [], '2H', 7.74, 7.66), ('t', "['8.0Hz']", '1H', 7.21, 7.21), ('s', [], '2H', 3.3, 3.3), ('s', [], '9H', 3.0, 3.0), ('s', [], '12H', 1.44, 1.44)] | 28 | 8 | 28 |
10.1039_d0cc02223c | CC1(C)OB(c2c3c(C[N+](C)(C)C)c[nH]c3ccc2)OC1(C)C.[I-] | 22 | 22 | [0.63516745 0.12949219 0.75667774 0.20898439] | [0.11598709 0.25039064 0.88094957 0.38828127] | 13C NMR | 75 MHz | DMSO-d6 | 136.74, 132.19, 131.60, 130.96, 121.46, 116.62, 103.33, 84.39, 61.81, 51.63, 25.24 | null | [(136.74, None, None), (132.19, None, None), (131.6, None, None), (130.96, None, None), (121.46, None, None), (116.62, None, None), (103.33, None, None), (84.39, None, None), (61.81, None, None), (51.63, None, None), (25.24, None, None)] | 18 | 12 | 11 |
10.1039_d0cc02223c | CC(C(O)=O)(CC1C(F)=CC=CC=1)N | 28 | 28 | [0.63074889 0.11171876 0.75446843 0.19941407] | [0.11377782 0.23554688 0.87266478 0.30898439] | 1H NMR | 400 MHz | CD3OD | 7.44-7.31 (m, 2H), 7.17 (ddd, J = 20.7, 13.1, 4.7 Hz, 2H), 3.30 (q, J = 13.7 Hz, 2H), 1.63 (s, 3H) | null | [('m', [], '2H', 7.44, 7.31), ('ddd', ['20.7Hz', '13.1Hz', '4.7Hz'], '2H', 7.17, 7.17), ('q', ['13.7Hz'], '2H', 3.3, 3.3), ('s', [], '3H', 1.63, 1.63)] | 12 | 8 | 9 |
10.1039_d0cc02223c | CC(C(O)=O)(CC1C(F)=CC=CC=1)N | 28 | 28 | [0.63074889 0.11171876 0.75446843 0.19941407] | [0.11377782 0.23554688 0.87266478 0.30898439] | 13C NMR | 101 MHz | CD3OD | 173.15, 162.76 (d, J = 244.8 Hz), 133.77 (d, J = 3.8 Hz), 131.37 (d, J = 8.3 Hz), 125.76 (d, J = 3.5 Hz), 121.44 (d, J = 15.9 Hz), 116.64 (d, J = 22.2 Hz), 61.45, 37.01, 22.13 | null | [(173.15, None, None), (162.76, 'd', 244.8), (133.77, 'd', 3.8), (131.37, 'd', 8.3), (125.76, 'd', 3.5), (121.44, 'd', 15.9), (116.64, 'd', 22.2), (61.45, None, None), (37.01, None, None), (22.13, None, None)] | 10 | 10 | 10 |
10.1039_d0cc02223c | CC(C(O)=O)(CC1C(F)=CC=CC=1)N | 28 | 28 | [0.63074889 0.11171876 0.75446843 0.19941407] | [0.11377782 0.23554688 0.87266478 0.30898439] | 19F NMR | 376 MHz | CD3OD | -116.88 | null | [(-116.88, None, None)] | 1 | 1 | 1 |
10.1039_d0cc02223c | CC(C(O)=O)(CC1C=C(F)C=CC=1)N | 32 | 32 | [0.63074889 0.10683594 0.75446843 0.21035158] | [0.13697524 0.24257814 0.66720199 0.25976564] | 1H NMR | 400 MHz | CD3OD | 7.42-7.35 (m, 1H), 7.11 (d, J = 7.7 Hz, 1H), 7.10-7.02 (m, J = 8.1, 7.5, 1.7 Hz, 2H), 3.26 (dd, J = 56.9, 14.1 Hz, 2H), 1.65 (s, 3H) | null | [('m', [], '1H', 7.42, 7.35), ('d', ['7.7Hz'], '1H', 7.11, 7.11), ('m', ['8.1Hz', '7.5Hz', '1.7Hz'], '2H', 7.1, 7.02), ('dd', ['56.9Hz', '14.1Hz'], '2H', 3.26, 3.26), ('s', [], '3H', 1.65, 1.65)] | 12 | 8 | 9 |
10.1039_d0cc02223c | CC(C(O)=O)(CC1C=C(F)C=CC=1)N | 32 | 32 | [0.63074889 0.10683594 0.75446843 0.21035158] | [0.13697524 0.24257814 0.66720199 0.25976564] | 13C NMR | 101 MHz | CD3OD | 173.15, 164.20 (d, J = 245.2 Hz), 137.18 (d, J = 7.3 Hz), 131.82 (d, J = 8.3 Hz), 127.29 (d, J = 2.8 Hz), 118.01 (d, J = 21.8 Hz), 115.88 (d, J = 21.2 Hz), 61.62, 43.26, 22.84 | null | [(173.15, None, None), (164.2, 'd', 245.2), (137.18, 'd', 7.3), (131.82, 'd', 8.3), (127.29, 'd', 2.8), (118.01, 'd', 21.8), (115.88, 'd', 21.2), (61.62, None, None), (43.26, None, None), (22.84, None, None)] | 10 | 10 | 10 |
10.1039_d0cc02223c | CC(C(O)=O)(CC1C=C(F)C=CC=1)N | 32 | 32 | [0.63074889 0.10683594 0.75446843 0.21035158] | [0.13697524 0.24257814 0.66720199 0.25976564] | 19F NMR | 376 MHz | CD3OD | -114.46 | null | [(-114.46, None, None)] | 1 | 1 | 1 |
10.1002_anie.202300907 | CS(=O)(=O)N(Cc1ccccc1)C#CCO | 4 | 4 | [0.61307467 0.35546879 0.72574783 0.39453129] | [0.07566777 0.46757815 0.92126895 0.58007816] | 1H NMR | 500 MHz | CDCl3 | 1.67 (t, 1H, J = 6.3 Hz), 2.90 (s, 3H), 4.39 (d, 2H, J = 6.3 Hz), 4.63 (s, 2H), 7.35-7.45 (m, 5H) | null | [('t', ['6.3Hz'], '1H', 1.67, 1.67), ('s', [], '3H', 2.9, 2.9), ('d', ['6.3Hz'], '2H', 4.39, 4.39), ('s', [], '2H', 4.63, 4.63), ('m', [], '5H', 7.45, 7.35)] | 13 | 7 | 13 |
10.1002_anie.202300907 | CS(=O)(=O)N(Cc1ccccc1)C#CCO | 4 | 4 | [0.61307467 0.35546879 0.72574783 0.39453129] | [0.07566777 0.46757815 0.92126895 0.58007816] | 13C NMR | 150 MHz | CDCl3 | 38.6, 50.7, 55.3, 70.5, 78.6, 128.97, 129.00, 129.08, 134.7 | null | [(38.6, None, None), (50.7, None, None), (55.3, None, None), (70.5, None, None), (78.6, None, None), (128.97, None, None), (129.0, None, None), (129.08, None, None), (134.7, None, None)] | 11 | 9 | 9 |
10.1002_anie.202300907 | CC(C)[Si](C(C)C)(c1cccc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F)OCC#CN(Cc1ccccc1)S(C)(=O)=O | 4 | 4 | [0.07829129 0.78046879 0.22796987 0.86640629] | [0.07566777 0.89375004 0.92071661 0.92812501] | 1H NMR | 600 MHz | CDCl3 | 0.36 (s, 9H), 1.00 (d, 6H, J = 6.2 Hz), 1.08 (d, 6H, J = 7.6 Hz), 1.39 (qq, 2H, J = 7.6, 6.2 Hz), 2.86 (s, 3H), 4.48 (s, 2H), 4.61 (s, 2H), 7.34-7.39 (m, 4H), 7.43 (brd, 2H, J = 7.6 Hz), 7.57-7.63 (m, 2H) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['6.2Hz'], '6H', 1.0, 1.0), ('d', ['7.6Hz'], '6H', 1.08, 1.08), ('qq', ['7.6Hz', '6.2Hz'], '2H', 1.39, 1.39), ('s', [], '3H', 2.86, 2.86), ('s', [], '2H', 4.48, 4.48), ('s', [], '2H', 4.61, 4.61), ('m', [], '4H', 7.39, 7.34), ('brd', ['7.6Hz'], '2H', 7.43, 7.43), ('m', [], '2H', 7.63... | 38 | 12 | 38 |
10.1002_anie.202300907 | CC(C)[Si](C(C)C)(c1cccc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F)OCC#CN(Cc1ccccc1)S(C)(=O)=O | 4 | 4 | [0.07829129 0.78046879 0.22796987 0.86640629] | [0.07566777 0.89375004 0.92071661 0.92812501] | 13C NMR | 150 MHz | CDCl3 | -0.2, 13.0, 17.3, 17.6, 38.6, 52.3, 55.4, 70.5, 78.1, 118.7 (q, JCF = 321 Hz), 127.4, 128.9, 129.1, 129.2, 129.6, 134.9, 135.3, 138.7, 139.1, 156.1 | null | [(-0.2, None, None), (13.0, None, None), (17.3, None, None), (17.6, None, None), (38.6, None, None), (52.3, None, None), (55.4, None, None), (70.5, None, None), (78.1, None, None), (118.7, 'q', 321.0), (127.4, None, None), (128.9, None, None), (129.1, None, None), (129.2, None, None), (129.6, None, None), (134.9, None,... | 27 | 19 | 20 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CCO[Si](C(C)C)(C(C)C)c2c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc2)cc1 | 5 | 5 | [0.07849841 0.58828126 0.22810796 0.67421876] | [0.07511545 0.70312507 0.92347821 0.92968757] | 1H NMR | 500 MHz | CDCl3 | 0.35 (s, 9H), 0.95 (d, 6H, J = 7.8 Hz), 1.02 (d, 6H, J = 7.5 Hz), 1.33 (qq, 2H, J = 7.8, 7.5 Hz), 2.43 (s, 3H), 4.38 (s, 2H), 4.49 (s, 2H), 7.27-7.34 (m, 8H), 7.55 (dd, 1H, J = 7.2, 2.0 Hz), 7.60 (dd, 1H, J = 7.5, 2.0 Hz), 7.75 (d, 2H, J = 8.3 Hz) | null | [('s', [], '9H', 0.35, 0.35), ('d', ['7.8Hz'], '6H', 0.95, 0.95), ('d', ['7.5Hz'], '6H', 1.02, 1.02), ('qq', ['7.8Hz', '7.5Hz'], '2H', 1.33, 1.33), ('s', [], '3H', 2.43, 2.43), ('s', [], '2H', 4.38, 4.38), ('s', [], '2H', 4.49, 4.49), ('m', [], '8H', 7.34, 7.27), ('dd', ['7.2Hz', '2.0Hz'], '1H', 7.55, 7.55), ('dd', ['7... | 42 | 14 | 42 |
10.1002_anie.202300907 | COC(=O)N(Cc1ccccc1)C#CCO | 7 | 7 | [0.6064468 0.26777344 0.73016639 0.30722658] | [0.07732473 0.36132816 0.92237353 0.47226565] | 1H NMR | 600 MHz | CDCl3 | 1.51 (brs, 1H), 3.82 (s, 3H), 4.37 (d, 2H, J = 5.5 Hz), 4.63 (s, 2H), 7.29-7.38 (m, 5H) | null | [('brs', [], '1H', 1.51, 1.51), ('s', [], '3H', 3.82, 3.82), ('d', ['5.5Hz'], '2H', 4.37, 4.37), ('s', [], '2H', 4.63, 4.63), ('m', [], '5H', 7.38, 7.29)] | 13 | 7 | 13 |
10.1002_anie.202300907 | COC(=O)N(Cc1ccccc1)C#CCO | 7 | 7 | [0.6064468 0.26777344 0.73016639 0.30722658] | [0.07732473 0.36132816 0.92237353 0.47226565] | 13C NMR | 150 MHz | CDCl3 | 50.7, 53.6, 54.0, 69.6, 79.3, 128.3, 128.5, 128.8, 136.1, 156.3 | null | [(50.7, None, None), (53.6, None, None), (54.0, None, None), (69.6, None, None), (79.3, None, None), (128.3, None, None), (128.5, None, None), (128.8, None, None), (136.1, None, None), (156.3, None, None)] | 12 | 10 | 10 |
10.1002_anie.202300907 | [Si](c1cccc([Si](C(C)C)(C(C)C)OCC#CN(Cc2ccccc2)C(OC)=O)c1OS(=O)(=O)C(F)(F)F)(C)(C)C | 7 | 7 | [0.07815321 0.67343756 0.23970666 0.75937506] | [0.07401082 0.78671881 0.92347821 0.91953131] | 1H NMR | 600 MHz | CDCl3 | 0.35 (s, 9H), 0.99 (d, 6H, J = 7.6 Hz), 1.09 (d, 6H, J = 7.6 Hz), 1.38 (qq, 2H, J = 7.6, 7.6 Hz), 3.80 (s, 3H), 4.45 (s, 2H), 4.60 (s, 2H), 7.27-7.35 (m, 6H), 7.57-7.63 (m, 2H) | null | [('s', [], '9H', 0.35, 0.35), ('d', ['7.6Hz'], '6H', 0.99, 0.99), ('d', ['7.6Hz'], '6H', 1.09, 1.09), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.38, 1.38), ('s', [], '3H', 3.8, 3.8), ('s', [], '2H', 4.45, 4.45), ('s', [], '2H', 4.6, 4.6), ('m', [], '6H', 7.35, 7.27), ('m', [], '2H', 7.63, 7.57)] | 38 | 12 | 38 |
10.1002_anie.202300907 | [Si](c1cccc([Si](C(C)C)(C(C)C)OCC#CN(Cc2ccccc2)C(OC)=O)c1OS(=O)(=O)C(F)(F)F)(C)(C)C | 7 | 7 | [0.07815321 0.67343756 0.23970666 0.75937506] | [0.07401082 0.78671881 0.92347821 0.91953131] | 13C NMR | 150 MHz | CDCl3 | -0.2, 13.1, 17.2, 17.6, 52.4, 53.5, 53.9, 69.5, 78.8, 118.7 (q, JCF = 319 Hz), 127.3, 128.3, 128.5, 128.8, 129.9, 135.2, 136.3, 138.95, 139.00, 156.0, 156.4 | null | [(-0.2, None, None), (13.1, None, None), (17.2, None, None), (17.6, None, None), (52.4, None, None), (53.5, None, None), (53.9, None, None), (69.5, None, None), (78.8, None, None), (118.7, 'q', 319.0), (127.3, None, None), (128.3, None, None), (128.5, None, None), (128.8, None, None), (129.9, None, None), (135.2, None,... | 28 | 20 | 21 |
10.1002_anie.202300907 | CC(C)(C)OC(=O)N(Cc1ccccc1)C#CCO | 8 | 8 | [0.61307467 0.26835939 0.7246432 0.3074219 ] | [0.07566777 0.36152344 0.92126895 0.47265629] | 1H NMR | 500 MHz | CDCl3 | 1.49 (brs, 9H), 4.37 (d, 2H, J = 6.0 Hz), 4.57 (s, 2H), 7.27-7.37 (m, 5H) | null | [('brs', [], '9H', 1.49, 1.49), ('d', ['6.0Hz'], '2H', 4.37, 4.37), ('s', [], '2H', 4.57, 4.57), ('m', [], '5H', 7.37, 7.27)] | 19 | 7 | 18 |
10.1002_anie.202300907 | CC(C)(C)OC(=O)N(Cc1ccccc1)C#CCO | 8 | 8 | [0.61307467 0.26835939 0.7246432 0.3074219 ] | [0.07566777 0.36152344 0.92126895 0.47265629] | 13C NMR | 125 MHz | CDCl3 | 27.9, 51.0, 53.0, 69.0, 80.4, 82.8, 127.7, 127.9, 128.4, 136.4, 154.1 | null | [(27.9, None, None), (51.0, None, None), (53.0, None, None), (69.0, None, None), (80.4, None, None), (82.8, None, None), (127.7, None, None), (127.9, None, None), (128.4, None, None), (136.4, None, None), (154.1, None, None)] | 15 | 11 | 11 |
10.1002_anie.202300907 | [Si](C)(C)(C)C1C(OS(=O)(=O)C(F)(F)F)=C([Si](OCC#CN(CC2C=CC=CC=2)C(=O)OC(C)(C)C)(C(C)C)C(C)C)C=CC=1 | 8 | 8 | [0.07815321 0.6738282 0.22838413 0.75898442] | [0.07456314 0.78789065 0.92237353 0.88125001] | 1H NMR | 600 MHz | CDCl3 | 0.35 (s, 9H), 0.99 (d, 6H, J = 7.6 Hz), 1.09 (d, 6H, J = 6.9 Hz), 1.38 (qq, 2H, J = 7.6, 6.9 Hz), 1.48 (brs, 9H), 4.46 (s, 2H), 4.55 (s, 2H), 7.26-7.34 (m, 6H), 7.57-7.63 (m, 2H) | null | [('s', [], '9H', 0.35, 0.35), ('d', ['7.6Hz'], '6H', 0.99, 0.99), ('d', ['6.9Hz'], '6H', 1.09, 1.09), ('qq', ['7.6Hz', '6.9Hz'], '2H', 1.38, 1.38), ('brs', [], '9H', 1.48, 1.48), ('s', [], '2H', 4.46, 4.46), ('s', [], '2H', 4.55, 4.55), ('m', [], '6H', 7.34, 7.26), ('m', [], '2H', 7.63, 7.57)] | 44 | 12 | 44 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(cn(Cc4ccccc4)c3ccc2)CO1 | 9 | 9 | [0.6141793 0.25390627 0.70475968 0.32109378] | [0.07566777 0.35468751 0.92347821 0.56406252] | 1H NMR | 600 MHz | CDCl3 | 1.07 (d, 6H, J = 7.6 Hz), 1.08 (d, 6H, J = 7.6 Hz), 1.26 (qq, 2H, J = 7.6, 7.6 Hz), 5.28 (s, 2H), 5.31 (s, 2H), 6.85 (s, 1H), 7.16-7.24 (m, 4H), 7.27-7.33 (m, 4H) | null | [('d', ['7.6Hz'], '6H', 1.07, 1.07), ('d', ['7.6Hz'], '6H', 1.08, 1.08), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.26, 1.26), ('s', [], '2H', 5.28, 5.28), ('s', [], '2H', 5.31, 5.31), ('s', [], '1H', 6.85, 6.85), ('m', [], '4H', 7.24, 7.16), ('m', [], '4H', 7.33, 7.27)] | 27 | 11 | 27 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(cn(Cc4ccccc4)c3ccc2)CO1 | 9 | 9 | [0.6141793 0.25390627 0.70475968 0.32109378] | [0.07566777 0.35468751 0.92347821 0.56406252] | 13C NMR | 150 MHz | CDCl3 | 13.0, 16.9, 17.1, 49.8, 61.5, 110.3, 114.2, 121.2, 122.1, 123.6, 124.6, 127.4, 127.9, 129.0, 133.2, 134.3, 137.9 | null | [(13.0, None, None), (16.9, None, None), (17.1, None, None), (49.8, None, None), (61.5, None, None), (110.3, None, None), (114.2, None, None), (121.2, None, None), (122.1, None, None), (123.6, None, None), (124.6, None, None), (127.4, None, None), (127.9, None, None), (129.0, None, None), (133.2, None, None), (134.3, N... | 22 | 16 | 17 |
10.1002_anie.202300907 | O(Cc1cn(Cc2ccccc2)c2cccc(OC(C)=O)c12)C(C)=O | 12 | 12 | [0.60865611 0.29453127 0.70144579 0.35859376] | [0.07677241 0.39531253 0.92182129 0.54609379] | 1H NMR | 600 MHz | CDCl3 | 2.03 (s, 3H), 2.36 (s, 3H), 5.25 (s, 2H), 5.28 (s, 2H), 6.87 (dd, 1H, J = 6.9, 2.1 Hz), 7.12-7.17 (m, 5H), 7.27-7.33 (m, 3H) | null | [('s', [], '3H', 2.03, 2.03), ('s', [], '3H', 2.36, 2.36), ('s', [], '2H', 5.25, 5.25), ('s', [], '2H', 5.28, 5.28), ('dd', ['6.9Hz', '2.1Hz'], '1H', 6.87, 6.87), ('m', [], '5H', 7.17, 7.12), ('m', [], '3H', 7.33, 7.27)] | 19 | 11 | 19 |
10.1002_anie.202300907 | O(Cc1cn(Cc2ccccc2)c2cccc(OC(C)=O)c12)C(C)=O | 12 | 12 | [0.60865611 0.29453127 0.70144579 0.35859376] | [0.07677241 0.39531253 0.92182129 0.54609379] | 13C NMR | 150 MHz | CDCl3 | 20.7, 20.8, 50.2, 59.0, 108.2, 108.7, 113.4, 120.4, 122.8, 127.3, 128.2, 129.2, 130.2, 136.9, 139.3, 144.3, 170.3, 171.7 | null | [(20.7, None, None), (20.8, None, None), (50.2, None, None), (59.0, None, None), (108.2, None, None), (108.7, None, None), (113.4, None, None), (120.4, None, None), (122.8, None, None), (127.3, None, None), (128.2, None, None), (129.2, None, None), (130.2, None, None), (136.9, None, None), (139.3, None, None), (144.3, ... | 20 | 18 | 18 |
10.1002_anie.202300907 | S(C1=C2CO[Si](C(C)C)(C(C)C)C3=CC=CC(=C23)N1CC1=CC=CC=C1)C1=CC=CC=C1 | 12 | 12 | [0.5777262 0.78828129 0.70144579 0.85546882] | [0.07677241 0.89218756 0.92071661 0.92656253] | 1H NMR | 600 MHz | CDCl3 | 1.07 (d, 6H, J = 7.6 Hz), 1.08 (d, 6H, J = 7.6 Hz), 1.27 (qq, 2H, J =7.6, 7.6 Hz), 5.32 (s, 2H), 5.36 (s, 2H), 6.94 (brd, 2H, J = 8.2 Hz), 7.03 (brd, 2H, J = 6.2 Hz), 7.08 (dd, 1H, J = 7.6, 7.6 Hz), 7.13-7.21 (m, 5H), 7.23-7.26 (m, 3H) | null | [('d', ['7.6Hz'], '6H', 1.07, 1.07), ('d', ['7.6Hz'], '6H', 1.08, 1.08), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.27, 1.27), ('s', [], '2H', 5.32, 5.32), ('s', [], '2H', 5.36, 5.36), ('brd', ['8.2Hz'], '2H', 6.94, 6.94), ('brd', ['6.2Hz'], '2H', 7.03, 7.03), ('dd', ['7.6Hz', '7.6Hz'], '1H', 7.08, 7.08), ('m', [], '5H', 7.21,... | 31 | 13 | 31 |
10.1002_anie.202300907 | S(C1=C2CO[Si](C(C)C)(C(C)C)C3=CC=CC(=C23)N1CC1=CC=CC=C1)C1=CC=CC=C1 | 12 | 12 | [0.5777262 0.78828129 0.70144579 0.85546882] | [0.07677241 0.89218756 0.92071661 0.92656253] | 13C NMR | 150 MHz | CDCl3 | 13.0, 16.9, 17.1, 46.7, 61.9, 111.2, 119.8, 123.0, 123.7, 124.2, 125.1, 126.0, 126.5, 127.0, 127.5, 128.8, 129.4, 132.0, 136.0, 136.6, 138.1 | null | [(13.0, None, None), (16.9, None, None), (17.1, None, None), (46.7, None, None), (61.9, None, None), (111.2, None, None), (119.8, None, None), (123.0, None, None), (123.7, None, None), (124.2, None, None), (125.1, None, None), (126.0, None, None), (126.5, None, None), (127.0, None, None), (127.5, None, None), (128.8, N... | 28 | 20 | 21 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)OCC2C(=O)N(Cc3ccccc3)c3cccc1c32 | 13 | 13 | [0.58435402 0.6640625 0.69260866 0.73125003] | [0.07622009 0.76796876 0.92126895 0.86015628] | 1H NMR | 600 MHz | CDCl3 | 0.94 (d, 3H, J = 7.6 Hz), 1.03-1.06 (m, 9H), 1.13-1.23 (m, 2H), 3.76-3.81 (m, 2H), 4.61-4.64 (m, 1H), 4.68 (d, 1H, J = 15.2 Hz), 5.07 (d, 1H, J = 15.2 Hz), 6.74 (d, 1H, J = 8.2 Hz), 7.11 (d, 1H, J = 7.6 Hz), 7.19 (dd, 1H, J = 8.2, 7.6 Hz), 7.26-7.35 (m, 5H) | null | [('d', ['7.6Hz'], '3H', 0.94, 0.94), ('m', [], '9H', 1.06, 1.03), ('m', [], '2H', 1.23, 1.13), ('m', [], '2H', 3.81, 3.76), ('m', [], '1H', 4.64, 4.61), ('d', ['15.2Hz'], '1H', 4.68, 4.68), ('d', ['15.2Hz'], '1H', 5.07, 5.07), ('d', ['8.2Hz'], '1H', 6.74, 6.74), ('d', ['7.6Hz'], '1H', 7.11, 7.11), ('dd', ['8.2Hz', '7.6... | 27 | 11 | 27 |
10.1002_anie.202300907 | CC(C)[Si](C(C)C)(c1cc(C)cc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F)OCC#CN(Cc1ccccc1)C(=O)OC(C)(C)C | 15 | 15 | [0.07842937 0.36132816 0.24633451 0.4480469 ] | [0.07732473 0.47812502 0.92016427 0.55156253] | 1H NMR | 600 MHz | CDCl3 | 0.34 (s, 9H), 0.99 (d, 6H, J = 7.6 Hz), 1.08 (d, 6H, J = 7.6 Hz), 1.37 (qq, 2H, J = 7.6, 7.6 Hz), 1.48 (brs, 9H), 2.33 (s, 3H), 4.46 (s, 2H), 4.54 (s, 2H), 7.27-7.32 (m, 5H), 7.34-7.40 (m, 2H) | null | [('s', [], '9H', 0.34, 0.34), ('d', ['7.6Hz'], '6H', 0.99, 0.99), ('d', ['7.6Hz'], '6H', 1.08, 1.08), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.37, 1.37), ('brs', [], '9H', 1.48, 1.48), ('s', [], '3H', 2.33, 2.33), ('s', [], '2H', 4.46, 4.46), ('s', [], '2H', 4.54, 4.54), ('m', [], '5H', 7.32, 7.27), ('m', [], '2H', 7.4, 7.34... | 46 | 12 | 46 |
10.1002_anie.202300907 | CC(C)[Si](C(C)C)(c1cc(C)cc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F)OCC#CN(Cc1ccccc1)C(=O)OC(C)(C)C | 15 | 15 | [0.07842937 0.36132816 0.24633451 0.4480469 ] | [0.07732473 0.47812502 0.92016427 0.55156253] | 13C NMR | 150 MHz | CDCl3 | -0.1, 13.1, 17.4, 17.7, 20.5, 27.7, 52.4, 52.9, 69.0, 79.7, 82.6, 118.7 (q, JCF = 321 Hz), 128.0, 128.3, 128.7, 129.6, 134.6, 136.8, 136.9, 139.4, 139.5, 154.1, 154.6 | null | [(-0.1, None, None), (13.1, None, None), (17.4, None, None), (17.7, None, None), (20.5, None, None), (27.7, None, None), (52.4, None, None), (52.9, None, None), (69.0, None, None), (79.7, None, None), (82.6, None, None), (118.7, 'q', 321.0), (128.0, None, None), (128.3, None, None), (128.7, None, None), (129.6, None, N... | 32 | 22 | 23 |
10.1002_anie.202300907 | COc1cc([Si](C)(C)C)c(OS(=O)(=O)C(F)(F)F)c([Si](C(C)C)(C(C)C)OCC#CN(Cc2ccccc2)C(=O)OC(C)(C)C)c1 | 16 | 16 | [0.07842937 0.30585938 0.25489544 0.39179688] | [0.07677241 0.42187504 0.92126895 0.49531254] | 1H NMR | 500 MHz | CDCl3 | 0.34 (s, 9H), 1.00 (d, 6H, J = 7.5 Hz), 1.10 (d, 6H, J = 7.2 Hz), 1.37 (qq, 2H, J = 7.5, 7.2 Hz), 1.47 (brs, 9H), 3.77 (s, 3H), 4.47 (s, 2H), 4.55 (s, 2H), 7.05 (d, 1H, J = 3.2 Hz), 7.11 (brs, 1H), 7.27-7.34 (m, 5H) | null | [('s', [], '9H', 0.34, 0.34), ('d', ['7.5Hz'], '6H', 1.0, 1.0), ('d', ['7.2Hz'], '6H', 1.1, 1.1), ('qq', ['7.5Hz', '7.2Hz'], '2H', 1.37, 1.37), ('brs', [], '9H', 1.47, 1.47), ('s', [], '3H', 3.77, 3.77), ('s', [], '2H', 4.47, 4.47), ('s', [], '2H', 4.55, 4.55), ('d', ['3.2Hz'], '1H', 7.05, 7.05), ('brs', [], '1H', 7.11... | 46 | 12 | 46 |
10.1002_anie.202300907 | COc1cc([Si](C)(C)C)c(OS(=O)(=O)C(F)(F)F)c([Si](C(C)C)(C(C)C)OCC#CN(Cc2ccccc2)C(=O)OC(C)(C)C)c1 | 16 | 16 | [0.07842937 0.30585938 0.25489544 0.39179688] | [0.07677241 0.42187504 0.92126895 0.49531254] | 13C NMR | 150 MHz | CDCl3 | -0.2, 13.1, 17.4, 17.8, 27.7, 52.5, 52.9, 55.3, 69.0, 79.7, 82.6, 118.7 (q, JCF = 321 Hz), 123.0, 123.5, 128.0, 128.3, 128.7,131.5, 136.6, 136.9, 148.7, 154.6, 158.0 | null | [(-0.2, None, None), (13.1, None, None), (17.4, None, None), (17.8, None, None), (27.7, None, None), (52.5, None, None), (52.9, None, None), (55.3, None, None), (69.0, None, None), (79.7, None, None), (82.6, None, None), (118.7, 'q', 321.0), (123.0, None, None), (123.5, None, None), (128.0, None, None), (128.3, None, N... | 32 | 22 | 23 |
10.1002_anie.202300907 | [Si](C)(C)(C)C1C(OS(=O)(=O)C(F)(F)F)=C([Si](OCC#CN(C(=O)OC(C)(C)C)CC2C=CC=CC=2)(C(C)C)C(C)C)C=C(F)C=1 | 17 | 17 | [0.07815321 0.22734376 0.2361166 0.31328128] | [0.07622009 0.34414064 0.92016427 0.41718751] | 1H NMR | 500 MHz | CDCl3 | 0.36 (s, 9H), 0.99 (d, 6H, J = 7.5 Hz), 1.09 (d, 6H, J = 7.5 Hz), 1.36 (qq, 2H, J = 7.5, 7.5 Hz), 1.48 (brs, 9H), 4.49 (s, 2H), 4.56 (s, 2H), 7.23-7.36 (m, 1H), 7.27-7.34 (m, 6H) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.5Hz'], '6H', 0.99, 0.99), ('d', ['7.5Hz'], '6H', 1.09, 1.09), ('qq', ['7.5Hz', '7.5Hz'], '2H', 1.36, 1.36), ('brs', [], '9H', 1.48, 1.48), ('s', [], '2H', 4.49, 4.49), ('s', [], '2H', 4.56, 4.56), ('m', [], '1H', 7.36, 7.23), ('m', [], '6H', 7.34, 7.27)] | 43 | 11 | 43 |
10.1002_anie.202300907 | [Si](C)(C)(C)C1C(OS(=O)(=O)C(F)(F)F)=C([Si](OCC#CN(C(=O)OC(C)(C)C)CC2C=CC=CC=2)(C(C)C)C(C)C)C=C(F)C=1 | 17 | 17 | [0.07815321 0.22734376 0.2361166 0.31328128] | [0.07622009 0.34414064 0.92016427 0.41718751] | 13C NMR | 150 MHz | CDCl3 | -0.3, 13.0, 17.3, 17.6, 27.7, 52.6, 52.8, 68.8, 80.0, 82.7, 118.6 (q, JCF = 319 Hz), 124.8 (d, JCF = 21.7 Hz), 125.0, 128.0, 128.3, 128.8, 133.7 (d, JCF = 4.3 Hz), 136.9, 138.5 (d, JCF = 2.9 Hz), 150.7, 154.6, 161.4 (d, JCF = 253 Hz) | null | [(-0.3, None, None), (13.0, None, None), (17.3, None, None), (17.6, None, None), (27.7, None, None), (52.6, None, None), (52.8, None, None), (68.8, None, None), (80.0, None, None), (82.7, None, None), (118.6, 'q', 319.0), (124.8, 'd', 21.7), (125.0, None, None), (128.0, None, None), (128.3, None, None), (128.8, None, N... | 31 | 21 | 22 |
10.1002_anie.202300907 | [Si](C)(C)(C)C1C(OS(=O)(=O)C(F)(F)F)=C([Si](OCC#CN(C(=O)OC(C)(C)C)CC2C=CC=CC=2)(C(C)C)C(C)C)C=C(Cl)C=1 | 18 | 18 | [0.07787705 0.16923829 0.24412523 0.25507813] | [0.07732473 0.28515627 0.92182129 0.35859376] | 1H NMR | 600 MHz | CDCl3 | 0.36 (s, 9H), 0.99 (d, 6H, J = 7.6 Hz), 1.07 (d, 6H, J = 7.6 Hz), 1.36 (qq, 2H, J = 7.6, 7.6 Hz), 1.48 (brs, 9H), 4.49 (s, 2H), 4.55 (s, 2H), 7.27-7.33 (m, 5H), 7.50 (d, 1H, J = 3.2 Hz), 7.55 (brs, 1H) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.6Hz'], '6H', 0.99, 0.99), ('d', ['7.6Hz'], '6H', 1.07, 1.07), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.36, 1.36), ('brs', [], '9H', 1.48, 1.48), ('s', [], '2H', 4.49, 4.49), ('s', [], '2H', 4.55, 4.55), ('m', [], '5H', 7.33, 7.27), ('d', ['3.2Hz'], '1H', 7.5, 7.5), ('brs', [], '1H', 7.... | 43 | 11 | 43 |
10.1002_anie.202300907 | [Si](C)(C)(C)C1C(OS(=O)(=O)C(F)(F)F)=C([Si](OCC#CN(C(=O)OC(C)(C)C)CC2C=CC=CC=2)(C(C)C)C(C)C)C=C(Cl)C=1 | 18 | 18 | [0.07787705 0.16923829 0.24412523 0.25507813] | [0.07732473 0.28515627 0.92182129 0.35859376] | 13C NMR | 150 MHz | CDCl3 | -0.3, 13.0, 17.3, 17.6, 27.7, 52.6, 52.9, 68.8, 80.1, 82.7, 118.7 (q, JCF = 321 Hz), 128.0, 128.3, 128.8, 133.1, 134.1, 136.9, 137.9, 138.20, 138.25, 154.0, 154.6 | null | [(-0.3, None, None), (13.0, None, None), (17.3, None, None), (17.6, None, None), (27.7, None, None), (52.6, None, None), (52.9, None, None), (68.8, None, None), (80.1, None, None), (82.7, None, None), (118.7, 'q', 321.0), (128.0, None, None), (128.3, None, None), (128.8, None, None), (133.1, None, None), (134.1, None, ... | 31 | 21 | 22 |
10.1002_anie.202300907 | [C-]#[N+]c1cc([Si](C(C)C)(C(C)C)OCC#CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1 | 20 | 20 | [0.07822225 0.10986329 0.24605834 0.19619142] | [0.07622009 0.22656252 0.92016427 0.30039065] | 1H NMR | 600 MHz | CDCl3 | 0.38 (s, 9H), 0.97 (d, 6H, J = 7.6 Hz), 1.06 (d, 6H, J = 7.6 Hz), 1.37 (qq, 2H, J = 7.6, 7.6 Hz), 1.48 (brs, 9H), 4.52 (s, 2H), 4.56 (s, 2H), 7.27-7.33 (m, 5H), 7.85-7.90 (m, 2H) | null | [('s', [], '9H', 0.38, 0.38), ('d', ['7.6Hz'], '6H', 0.97, 0.97), ('d', ['7.6Hz'], '6H', 1.06, 1.06), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.37, 1.37), ('brs', [], '9H', 1.48, 1.48), ('s', [], '2H', 4.52, 4.52), ('s', [], '2H', 4.56, 4.56), ('m', [], '5H', 7.33, 7.27), ('m', [], '2H', 7.9, 7.85)] | 43 | 11 | 43 |
10.1002_anie.202300907 | [C-]#[N+]c1cc([Si](C(C)C)(C(C)C)OCC#CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1 | 20 | 20 | [0.07822225 0.10986329 0.24605834 0.19619142] | [0.07622009 0.22656252 0.92016427 0.30039065] | 13C NMR | 150 MHz | CDCl3 | -0.3, 12.9, 17.1, 17.4, 27.7, 52.6, 52.8, 68.5, 80.3, 82.8, 112.2, 118.3, 118.6 (q, JCF = 321 Hz), 128.0, 128.3, 128.8, 132.9, 136.8, 137.5, 142.1, 142.4, 154.5, 158.3 | null | [(-0.3, None, None), (12.9, None, None), (17.1, None, None), (17.4, None, None), (27.7, None, None), (52.6, None, None), (52.8, None, None), (68.5, None, None), (80.3, None, None), (82.8, None, None), (112.2, None, None), (118.3, None, None), (118.6, 'q', 321.0), (128.0, None, None), (128.3, None, None), (128.8, None, ... | 32 | 22 | 23 |
10.1002_anie.202300907 | CC(C)[Si](C(C)C)(c1c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc1F)OCC#CN(Cc1ccccc1)C(=O)OC(C)(C)C | 22 | 22 | [0.07815321 0.71171878 0.23639275 0.79765628] | [0.07677241 0.82812507 0.92071661 0.90312503] | 13C NMR | 150 MHz | CDCl3 | -0.1, 13.6, 17.1, 17.5, 27.6, 52.4, 52.9, 69.0, 79.7, 82.5, 114.9 (d, JCF = 26.0 Hz), 118.3 (d, JCF = 34.7 Hz), 118.8 (q, JCF = 321 Hz), 128.0, 128.3, 128.7, 131.1, 136.9, 139.9 (d, JCF = 10.1 Hz), 154.6, 156.5 (d, JCF = 14.4 Hz), 167.7 (d, JCF = 244 Hz) | null | [(-0.1, None, None), (13.6, None, None), (17.1, None, None), (17.5, None, None), (27.6, None, None), (52.4, None, None), (52.9, None, None), (69.0, None, None), (79.7, None, None), (82.5, None, None), (114.9, 'd', 26.0), (118.3, 'd', 34.7), (118.8, 'q', 321.0), (128.0, None, None), (128.3, None, None), (128.7, None, No... | 31 | 21 | 22 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c(F)ccc3n(Cc4ccccc4)cc(c23)CO1 | 23 | 23 | [0.07822225 0.3837891 0.16983825 0.45078127] | [0.07677241 0.47734378 0.92182129 0.54921876] | 13C NMR | 150 MHz | CDCl3 | 13.0, 16.7, 16.9, 50.3, 61.2, 108.1 (d, JCF = 39.0 Hz), 110.3 (d, JCF = 31.8 Hz), 111.9 (d, JCF = 10.1 Hz), 113.8, 122.9, 127.3, 128.1, 129.1, 131.4, 132.9 (d, JCF = 15.9 Hz), 137.6, 159.8 (d, JCF = 233 Hz) | null | [(13.0, None, None), (16.7, None, None), (16.9, None, None), (50.3, None, None), (61.2, None, None), (108.1, 'd', 39.0), (110.3, 'd', 31.8), (111.9, 'd', 10.1), (113.8, None, None), (122.9, None, None), (127.3, None, None), (128.1, None, None), (129.1, None, None), (131.4, None, None), (132.9, 'd', 15.9), (137.6, None,... | 22 | 16 | 17 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(C)C#CCO)cc1 | 24 | 24 | [0.61528393 0.35390626 0.72574783 0.39296876] | [0.07622009 0.44687502 0.92237353 0.55859379] | 1H NMR | 600 MHz | CDCl3 | 1.63 (t, 1H, J = 6.2 Hz), 2.46 (s, 3H), 3.07 (s, 3H), 4.37 (d, 2H, J = 6.2 Hz), 7.36 (d, 2H, J = 8.3 Hz), 7.78 (d, 2H, J = 8.3 Hz) | null | [('t', ['6.2Hz'], '1H', 1.63, 1.63), ('s', [], '3H', 2.46, 2.46), ('s', [], '3H', 3.07, 3.07), ('d', ['6.2Hz'], '2H', 4.37, 4.37), ('d', ['8.3Hz'], '2H', 7.36, 7.36), ('d', ['8.3Hz'], '2H', 7.78, 7.78)] | 13 | 6 | 13 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(C)C#CCO)cc1 | 24 | 24 | [0.61528393 0.35390626 0.72574783 0.39296876] | [0.07622009 0.44687502 0.92237353 0.55859379] | 13C NMR | 150 MHz | CDCl3 | 21.2, 38.7, 50.7, 67.9, 80.4, 127.9, 130.1, 133.4, 145.3 | null | [(21.2, None, None), (38.7, None, None), (50.7, None, None), (67.9, None, None), (80.4, None, None), (127.9, None, None), (130.1, None, None), (133.4, None, None), (145.3, None, None)] | 11 | 9 | 9 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(C)C#CCO[Si](C(C)C)(C(C)C)c2c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc2)cc1 | 24 | 24 | [0.07836033 0.77890631 0.22700333 0.86484381] | [0.07622009 0.89218756 0.92126895 0.92656253] | 1H NMR | 600 MHz | CDCl3 | 0.36 (s, 9H), 1.00 (d, 6H, J = 7.6 Hz), 1.09 (d, 6H, J = 7.6 Hz), 1.39 (qq, 2H, J = 7.6, 7.6 Hz), 2.44 (s, 3H), 3.04 (s, 3H), 4.45 (s, 2H), 7.34 (d, 2H, J = 7.6 Hz), 7.39 (dd, 1H, J = 7.6, 7.6 Hz), 7.61-7.65 (m, 2H), 7.79 (d, 2H, J = 7.6 Hz) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.6Hz'], '6H', 1.0, 1.0), ('d', ['7.6Hz'], '6H', 1.09, 1.09), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.39, 1.39), ('s', [], '3H', 2.44, 2.44), ('s', [], '3H', 3.04, 3.04), ('s', [], '2H', 4.45, 4.45), ('d', ['7.6Hz'], '2H', 7.34, 7.34), ('dd', ['7.6Hz', '7.6Hz'], '1H', 7.39, 7.39), ('m',... | 38 | 11 | 38 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(C)C#CCO[Si](C(C)C)(C(C)C)c2c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc2)cc1 | 24 | 24 | [0.07836033 0.77890631 0.22700333 0.86484381] | [0.07622009 0.89218756 0.92126895 0.92656253] | 13C NMR | 150 MHz | CDCl3 | -0.2, 13.1, 17.3, 17.7, 21.3, 38.8, 52.3, 67.8, 79.9, 118.7 (q, JCF = 321 Hz), 127.4, 128.0, 129.8, 130.1, 133.7, 135.3, 139.0, 139.1, 145.1, 156.0 | null | [(-0.2, None, None), (13.1, None, None), (17.3, None, None), (17.7, None, None), (21.3, None, None), (38.8, None, None), (52.3, None, None), (67.8, None, None), (79.9, None, None), (118.7, 'q', 321.0), (127.4, None, None), (128.0, None, None), (129.8, None, None), (130.1, None, None), (133.7, None, None), (135.3, None,... | 27 | 19 | 20 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(n(C)cc3CO1)ccc2 | 25 | 25 | [0.07829129 0.30546878 0.16970017 0.37265627] | [0.07622009 0.40234379 0.92347821 0.55234377] | 1H NMR | 600 MHz | CDCl3 | 1.06 (d, 6H, J = 7.6 Hz), 1.07 (d, 6H, J = 7.6 Hz), 1.25 (qq, 2H, J = 7.6, 7.6 Hz), 3.77 (s, 3H), 5.31 (s, 2H), 6.80 (s, 1H), 7.23 (dd, 1H, J = 8.2, 7.6 Hz), 7.26 (d, 1H, J = 7.6 Hz), 7.31 (d, 1H, J = 8.2 Hz) | null | [('d', ['7.6Hz'], '6H', 1.06, 1.06), ('d', ['7.6Hz'], '6H', 1.07, 1.07), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.25, 1.25), ('s', [], '3H', 3.77, 3.77), ('s', [], '2H', 5.31, 5.31), ('s', [], '1H', 6.8, 6.8), ('dd', ['8.2Hz', '7.6Hz'], '1H', 7.23, 7.23), ('d', ['7.6Hz'], '1H', 7.26, 7.26), ('d', ['8.2Hz'], '1H', 7.31, 7.31)... | 23 | 8 | 23 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(c2ccccc2)C#CCO)cc1 | 25 | 25 | [0.61749319 0.61640629 0.72795714 0.65546879] | [0.07622009 0.70468756 0.92126895 0.83593757] | 1H NMR | 500 MHz | CDCl3 | 1.63-1.73 (m, 1H), 2.44 (s, 3H), 4.42 (d, 2H, J = 6.3 Hz), 7.21-7.25 (m, 2H), 7.27-7.35 (m, 5H), 7.58 (d, 2H, J = 8.3 Hz) | null | [('m', [], '1H', 1.73, 1.63), ('s', [], '3H', 2.44, 2.44), ('d', ['6.3Hz'], '2H', 4.42, 4.42), ('m', [], '2H', 7.25, 7.21), ('m', [], '5H', 7.35, 7.27), ('d', ['8.3Hz'], '2H', 7.58, 7.58)] | 15 | 8 | 15 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(c2ccccc2)C#CCO)cc1 | 25 | 25 | [0.61749319 0.61640629 0.72795714 0.65546879] | [0.07622009 0.70468756 0.92126895 0.83593757] | 13C NMR | 125 MHz | CDCl3 | 21.6, 51.0, 69.3, 79.4, 126.2, 128.1, 128.3, 129.0, 129.5, 132.8, 138.4, 145.0 | null | [(21.6, None, None), (51.0, None, None), (69.3, None, None), (79.4, None, None), (126.2, None, None), (128.1, None, None), (128.3, None, None), (129.0, None, None), (129.5, None, None), (132.8, None, None), (138.4, None, None), (145.0, None, None)] | 16 | 12 | 12 |
10.1002_anie.202300907 | [Si](C1=CC=CC([Si](C(C)C)(C(C)C)OCC#CN(C2=CC=CC=C2)S(=O)(=O)C2=CC=C(C)C=C2)=C1OS(=O)(=O)C(F)(F)F)(C)(C)C | 26 | 26 | [0.07829129 0.12949219 0.22658907 0.21484377] | [0.07511545 0.24335938 0.92403055 0.45390628] | 1H NMR | 500 MHz | CDCl3 | 0.36 (s, 9H), 1.00 (d, 6H, J = 7.5 Hz), 1.09 (d, 6H, J = 7.5 Hz), 1.40 (qq, 2H, J = 7.5, 7.5 Hz), 2.42 (s, 3H), 4.49 (s, 2H), 7.22-7.25 (m, 4H), 7.29-7.33 (m, 3H), 7.36 (dd, 1H, J = 7.4, 7.4 Hz), 7.56-7.67 (m, 4H) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.5Hz'], '6H', 1.0, 1.0), ('d', ['7.5Hz'], '6H', 1.09, 1.09), ('qq', ['7.5Hz', '7.5Hz'], '2H', 1.4, 1.4), ('s', [], '3H', 2.42, 2.42), ('s', [], '2H', 4.49, 4.49), ('m', [], '4H', 7.25, 7.22), ('m', [], '3H', 7.33, 7.29), ('dd', ['7.4Hz', '7.4Hz'], '1H', 7.36, 7.36), ('m', [], '4H'... | 40 | 13 | 40 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2cccc3c2c(cn3-c2ccccc2)CO1 | 26 | 26 | [0.07801513 0.47890626 0.1688717 0.54531251] | [0.07622009 0.57421879 0.92126895 0.64609381] | 1H NMR | 500 MHz | CDCl3 | 1.09 (d, 12H, J = 7.5 Hz), 1.29 (septet, 2H, J = 7.5 Hz), 5.38 (s, 2H), 7.13 (s, 1H), 7.23-7.35 (m, 4H), 7.49-7.53 (m, 3H), 7.59 (brd, 1H, J = 8.0 Hz) | null | [('d', ['7.5Hz'], '12H', 1.09, 1.09), ('hept', ['7.5Hz'], '2H', 1.29, 1.29), ('s', [], '2H', 5.38, 5.38), ('s', [], '1H', 7.13, 7.13), ('m', [], '4H', 7.35, 7.23), ('m', [], '3H', 7.53, 7.49), ('brd', ['8.0Hz'], '1H', 7.59, 7.59)] | 25 | 10 | 25 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2cccc3c2c(cn3-c2ccccc2)CO1 | 26 | 26 | [0.07801513 0.47890626 0.1688717 0.54531251] | [0.07622009 0.57421879 0.92126895 0.64609381] | 13C NMR | 125 MHz | CDCl3 | 13.8, 17.3, 17.5, 61.4, 111.1, 115.8, 120.7, 122.6, 123.7, 124.3, 124.7, 126.0, 129.6, 133.3, 133.7, 139.9 | null | [(13.8, None, None), (17.3, None, None), (17.5, None, None), (61.4, None, None), (111.1, None, None), (115.8, None, None), (120.7, None, None), (122.6, None, None), (123.7, None, None), (124.3, None, None), (124.7, None, None), (126.0, None, None), (129.6, None, None), (133.3, None, None), (133.7, None, None), (139.9, ... | 21 | 15 | 16 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(C#CCO[Si](C(C)C)(C(C)C)c2c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc2)CC=C)cc1 | 27 | 27 | [0.07836033 0.36289065 0.23473578 0.45351564] | [0.07511545 0.48125003 0.92347821 0.71015629] | 1H NMR | 600 MHz | CDCl3 | 0.36 (s, 9H), 0.99 (d, 6H, J = 7.6 Hz), 1.08 (d, 6H, J = 7.6 Hz), 1.39 (qq, 2H, J = 7.6, 7.6 Hz), 2.44 (s, 3H), 3.95 (d, 2H, J = 6.2 Hz), 4.46 (s, 2H), 5.16-5.24 (m, 2H), 5.65-5.74 (m, 1H), 7.31 (d, 2H, J = 8.3 Hz), 7.37 (dd, 1H, J = 7.6, 7.6 Hz), 7.61 (d, 2H, J = 7.6 Hz), 7.79 (d, 2H, J = 8.3 Hz) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.6Hz'], '6H', 0.99, 0.99), ('d', ['7.6Hz'], '6H', 1.08, 1.08), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.39, 1.39), ('s', [], '3H', 2.44, 2.44), ('d', ['6.2Hz'], '2H', 3.95, 3.95), ('s', [], '2H', 4.46, 4.46), ('m', [], '2H', 5.24, 5.16), ('m', [], '1H', 5.74, 5.65), ('d', ['8.3Hz'], '2H... | 40 | 13 | 40 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(C#CCO[Si](C(C)C)(C(C)C)c2c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc2)CC=C)cc1 | 27 | 27 | [0.07836033 0.36289065 0.23473578 0.45351564] | [0.07511545 0.48125003 0.92347821 0.71015629] | 13C NMR | 150 MHz | CDCl3 | -0.2, 13.1, 17.3, 17.7, 21.3, 52.4, 54.0, 69.7, 78.2, 118.7 (q, JCF = 321 Hz), 120.1, 127.4, 128.0, 129.8, 130.0, 131.2, 135.16, 135.20, 138.9, 139.1, 145.0, 156.0 | null | [(-0.2, None, None), (13.1, None, None), (17.3, None, None), (17.7, None, None), (21.3, None, None), (52.4, None, None), (54.0, None, None), (69.7, None, None), (78.2, None, None), (118.7, 'q', 321.0), (120.1, None, None), (127.4, None, None), (128.0, None, None), (129.8, None, None), (130.0, None, None), (131.2, None,... | 29 | 21 | 22 |
10.1002_anie.202300907 | CC1O[Si](C(C)C)(C(C)C)C2=CC=CC3=C2C1=CN3CC1=CC=CC=C1 | 29 | 29 | [0.07801513 0.11015625 0.18212736 0.17695313] | [0.07677241 0.20703127 0.92182129 0.27890627] | 1H NMR | 500 MHz | CDCl3 | 1.03-1.09 (m, 12H), 1.17-1.28 (m, 2H), 1.58 (d, 3H, J = 6.3 Hz), 5.25 (d, 1H, J = 16.1 Hz), 5.30 (d, 1H, J = 16.1 Hz), 5.48 (qd, 1H, J = 6.3, 1.2 Hz), 6.82 (d, 1H, J = 1.2 Hz), 7.15-7.23 (m, 4H), 7.27-7.34 (m, 4H) | null | [('m', [], '12H', 1.09, 1.03), ('m', [], '2H', 1.28, 1.17), ('d', ['6.3Hz'], '3H', 1.58, 1.58), ('d', ['16.1Hz'], '1H', 5.25, 5.25), ('d', ['16.1Hz'], '1H', 5.3, 5.3), ('qd', ['6.3Hz', '1.2Hz'], '1H', 5.48, 5.48), ('d', ['1.2Hz'], '1H', 6.82, 6.82), ('m', [], '4H', 7.23, 7.15), ('m', [], '4H', 7.34, 7.27)] | 29 | 12 | 29 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(COCc2ccccc2)O)cc1 | 29 | 29 | [0.61583627 0.45546876 0.73292799 0.51796876] | [0.07622009 0.55390629 0.92126895 0.68515631] | 1H NMR | 600 MHz | CDCl3 | 2.33 (d, 1H, J = 5.5 Hz), 2.42 (s, 3H), 3.42 (dd, 1H, J = 9.6, 7.6 Hz), 3.50 (dd, 1H, J = 9.6, 4.1 Hz), 4.44 (d, 1H, J = 14.1 Hz), 4.49 (d, 1H, J = 14.1 Hz), 4.52 (d, 1H, J = 11.7 Hz), 4.56 (d, 1H, J = 11.7 Hz), 4.58-4.60 (m, 1H), 7.24-7.36 (m, 12H), 7.72 (d, 2H, J = 8.3 Hz) | null | [('d', ['5.5Hz'], '1H', 2.33, 2.33), ('s', [], '3H', 2.42, 2.42), ('dd', ['9.6Hz', '7.6Hz'], '1H', 3.42, 3.42), ('dd', ['9.6Hz', '4.1Hz'], '1H', 3.5, 3.5), ('d', ['14.1Hz'], '1H', 4.44, 4.44), ('d', ['14.1Hz'], '1H', 4.49, 4.49), ('d', ['11.7Hz'], '1H', 4.52, 4.52), ('d', ['11.7Hz'], '1H', 4.56, 4.56), ('m', [], '1H', ... | 25 | 14 | 25 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(COCc2ccccc2)O[Si](C(C)C)(C(C)C)c2cccc([Si](C)(C)C)c2OS(=O)(=O)C(F)(F)F)cc1 | 30 | 30 | [0.07870553 0.10996094 0.22727947 0.19589844] | [0.07511545 0.22382813 0.92347821 0.49218754] | 1H NMR | 600 MHz | CDCl3 | 0.33 (s, 9H), 0.935 (d, 3H, J = 6.9 Hz), 0.943 (d, 3H, J = 7.6 Hz), 0.98 (d, 3H, J = 7.6 Hz), 1.01 (d, 3H, J = 6.8 Hz), 1.30-1.36 (m, 2H), 2.39 (s, 3H), 3.51 (dd, 1H, J = 9.6, 5.5 Hz), 3.60 (dd, 1H, J = 9.6, 6.2 Hz), 4.39 (d, 1H, J = 13.8 Hz), 4.45 (d, 1H, J = 13.8 Hz), 4.52 (s, 2H), 4.67 (dd, 1H, J = 6.2, 5.5 Hz), 7.1... | null | [('s', [], '9H', 0.33, 0.33), ('d', ['6.9Hz'], '3H', 0.94, 0.94), ('d', ['7.6Hz'], '3H', 0.94, 0.94), ('d', ['7.6Hz'], '3H', 0.98, 0.98), ('d', ['6.8Hz'], '3H', 1.01, 1.01), ('m', [], '2H', 1.36, 1.3), ('s', [], '3H', 2.39, 2.39), ('dd', ['9.6Hz', '5.5Hz'], '1H', 3.51, 3.51), ('dd', ['9.6Hz', '6.2Hz'], '1H', 3.6, 3.6),... | 50 | 19 | 50 |
10.1002_anie.202300907 | O(CC1C=CC=CC=1)CC1C2=CN(CC3=CC=CC=C3)C3=CC=CC(=C23)[Si](C(C)C)(C(C)C)O1 | 30 | 30 | [0.07870553 0.51718752 0.20656749 0.58437501] | [0.07622009 0.61328125 0.92016427 0.68593751] | 1H NMR | 600 MHz | CDCl3 | 1.01 (d, 3H, J = 7.6 Hz), 1.05-1.08 (m, 9H), 1.18-1.30 (m, 2H), 3.69 (dd, 1H, J = 9.6, 5.5 Hz), 3.76 (dd, 1H, J = 9.6, 6.9 Hz), 4.64 (d, 1H, J = 12.4 Hz), 4.70 (d, 1H, J = 12.4 Hz), 5.24 (d, 1H, J = 15.8 Hz), 5.27 (d, 1H, J = 15.8 Hz), 5.57 (ddd, 1H, J = 6.9, 5.5, 1.4 Hz), 6.95 (d, 1H, J = 1.4 Hz), 7.13-7.23 (m, 4H), 7... | null | [('d', ['7.6Hz'], '3H', 1.01, 1.01), ('m', [], '9H', 1.08, 1.05), ('m', [], '2H', 1.3, 1.18), ('dd', ['9.6Hz', '5.5Hz'], '1H', 3.69, 3.69), ('dd', ['9.6Hz', '6.9Hz'], '1H', 3.76, 3.76), ('d', ['12.4Hz'], '1H', 4.64, 4.64), ('d', ['12.4Hz'], '1H', 4.7, 4.7), ('d', ['15.8Hz'], '1H', 5.24, 5.24), ('d', ['15.8Hz'], '1H', 5... | 35 | 16 | 35 |
10.1002_anie.202300907 | O(CC1C=CC=CC=1)CC1C2=CN(CC3=CC=CC=C3)C3=CC=CC(=C23)[Si](C(C)C)(C(C)C)O1 | 30 | 30 | [0.07870553 0.51718752 0.20656749 0.58437501] | [0.07622009 0.61328125 0.92016427 0.68593751] | 13C NMR | 150 MHz | CDCl3 | 12.7, 13.6, 16.88, 16.93, 17.00, 17.03, 49.9, 70.6, 73.4, 76.5, 110.3, 115.3, 121.9, 122.6, 123.7, 124.2, 127.3, 127.8, 127.9, 128.0, 128.6, 129.0, 133.0, 134.0, 137.8, 138.9 | null | [(12.7, None, None), (13.6, None, None), (16.88, None, None), (16.93, None, None), (17.0, None, None), (17.03, None, None), (49.9, None, None), (70.6, None, None), (73.4, None, None), (76.5, None, None), (110.3, None, None), (115.3, None, None), (121.9, None, None), (122.6, None, None), (123.7, None, None), (124.2, Non... | 30 | 22 | 26 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(O)C=C)cc1 | 31 | 31 | [0.61749319 0.12265625 0.72906176 0.18281251] | [0.07622009 0.22617188 0.92126895 0.35664063] | 1H NMR | 600 MHz | CDCl3 | 1.73 (d, 1H, J = 6.8 Hz), 2.45 (s, 3H), 4.46 (d, 1H, J = 13.8 Hz), 4.52 (d, 1H, J = 13.8 Hz), 4.90-4.92 (m, 1H), 5.12 (d, 1H, J = 9.7 Hz), 5.26 (d, 1H, J = 17.2 Hz), 5.84 (ddd, 1H, J = 17.2, 9.7, 5.5 Hz), 7.26-7.32 (m, 7H), 7.74 (d, 2H, J = 8.3 Hz) | null | [('d', ['6.8Hz'], '1H', 1.73, 1.73), ('s', [], '3H', 2.45, 2.45), ('d', ['13.8Hz'], '1H', 4.46, 4.46), ('d', ['13.8Hz'], '1H', 4.52, 4.52), ('m', [], '1H', 4.92, 4.9), ('d', ['9.7Hz'], '1H', 5.12, 5.12), ('d', ['17.2Hz'], '1H', 5.26, 5.26), ('ddd', ['17.2Hz', '9.7Hz', '5.5Hz'], '1H', 5.84, 5.84), ('m', [], '7H', 7.32, ... | 19 | 11 | 19 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(O)C=C)cc1 | 31 | 31 | [0.61749319 0.12265625 0.72906176 0.18281251] | [0.07622009 0.22617188 0.92126895 0.35664063] | 13C NMR | 150 MHz | CDCl3 | 21.3, 55.2, 63.0, 70.3, 79.8, 116.4, 127.9, 128.6, 128.8, 129.0, 130.0, 134.5, 134.8, 136.9, 145.1 | null | [(21.3, None, None), (55.2, None, None), (63.0, None, None), (70.3, None, None), (79.8, None, None), (116.4, None, None), (127.9, None, None), (128.6, None, None), (128.8, None, None), (129.0, None, None), (130.0, None, None), (134.5, None, None), (134.8, None, None), (136.9, None, None), (145.1, None, None)] | 19 | 15 | 15 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)OC(C=C)c2c3c1cccc3n(Cc1ccccc1)c2 | 32 | 32 | [0.07842937 0.12968751 0.18557935 0.19707032] | [0.07677241 0.22578126 0.92347821 0.4136719 ] | 1H NMR | 600 MHz | CDCl3 | 1.05-1.09 (m, 12H), 1.21-1.32 (m, 2H), 5.16 (d, 1H, J = 9.7 Hz), 5.24 (d, 1H, J = 15.8 Hz), 5.29 (d, 1H, J = 15.8 Hz), 5.38 (d, 1H, J = 17.2 Hz), 5.76 (d, 1H, J = 6.9 Hz), 6.11 (ddd, 1H, J = 17.2, 9.7, 6.9 Hz), 6.78 (d, 1H, J = 2.9 Hz), 7.15-7.32 (m, 8H) | null | [('m', [], '12H', 1.09, 1.05), ('m', [], '2H', 1.32, 1.21), ('d', ['9.7Hz'], '1H', 5.16, 5.16), ('d', ['15.8Hz'], '1H', 5.24, 5.24), ('d', ['15.8Hz'], '1H', 5.29, 5.29), ('d', ['17.2Hz'], '1H', 5.38, 5.38), ('d', ['6.9Hz'], '1H', 5.76, 5.76), ('ddd', ['17.2Hz', '9.7Hz', '6.9Hz'], '1H', 6.11, 6.11), ('d', ['2.9Hz'], '1H... | 29 | 13 | 29 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(c2ccccc2)O[Si](C(C)C)(C(C)C)c2c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)ccc2)cc1 | 33 | 33 | [0.07863649 0.10996094 0.22727947 0.19589844] | [0.07511545 0.22304689 0.92347821 0.45390628] | 1H NMR | 500 MHz | CDCl3 | 0.35 (s, 9H), 0.91 (d, 3H, J = 7.7 Hz), 0.97 (d, 3H, J = 7.7 Hz), 1.00 (d, 3H, J = 7.5 Hz), 1.04 (d, 3H, J = 7.5 Hz), 1.33-1.40 (m, 2H), 2.41 (s, 3H), 4.38 (s, 2H), 5.38 (s, 1H), 7.10-7.24 (m, 8H), 7.29-7.35 (m, 5H), 7.54-7.63 (m, 4H) | null | [('s', [], '9H', 0.35, 0.35), ('d', ['7.7Hz'], '3H', 0.91, 0.91), ('d', ['7.7Hz'], '3H', 0.97, 0.97), ('d', ['7.5Hz'], '3H', 1.0, 1.0), ('d', ['7.5Hz'], '3H', 1.04, 1.04), ('m', [], '2H', 1.4, 1.33), ('s', [], '3H', 2.41, 2.41), ('s', [], '2H', 4.38, 4.38), ('s', [], '1H', 5.38, 5.38), ('m', [], '8H', 7.24, 7.1), ('m',... | 46 | 17 | 46 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(O)c2ccc(Br)cc2)cc1 | 34 | 34 | [0.61749319 0.12558594 0.73016639 0.22402345] | [0.07677241 0.24101564 0.92237353 0.39257816] | 1H NMR | 600 MHz | CDCl3 | 2.11 (d, 1H, J = 6.2 Hz), 2.45 (s, 3H), 4.45 (d, 1H, J = 13.8 Hz), 4.54 (d, 1H, J = 13.8 Hz), 5.42 (d, 1H, J = 6.2 Hz), 7.13 (d, 2H, J = 8.3 Hz), 7.24 (d, 2H, J = 8.3 Hz), 7.27-7.33 (m, 5H), 7.40 (d, 2H, J = 8.3 Hz), 7.70 (d, 2H, J = 8.3 Hz) | null | [('d', ['6.2Hz'], '1H', 2.11, 2.11), ('s', [], '3H', 2.45, 2.45), ('d', ['13.8Hz'], '1H', 4.45, 4.45), ('d', ['13.8Hz'], '1H', 4.54, 4.54), ('d', ['6.2Hz'], '1H', 5.42, 5.42), ('d', ['8.3Hz'], '2H', 7.13, 7.13), ('d', ['8.3Hz'], '2H', 7.24, 7.24), ('m', [], '5H', 7.33, 7.27), ('d', ['8.3Hz'], '2H', 7.4, 7.4), ('d', ['8... | 20 | 11 | 20 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(n(Cc4ccccc4)cc3C(c3ccc(Br)cc3)O1)ccc2 | 35 | 35 | [0.07815321 0.12929688 0.22893644 0.21171876] | [0.07677241 0.24082033 0.92237353 0.31113283] | 1H NMR | 600 MHz | CDCl3 | 1.07 (d, 3H, J = 6.9 Hz), 1.08 (d, 3H, J = 7.6 Hz), 1.11 (d, 3H, J = 6.9 Hz), 1.12 (d, 3H, J = 7.6 Hz), 1.24-1.36 (m, 2H), 5.13 (d, 1H, J = 15.8 Hz), 5.25 (d, 1H, J = 15.8 Hz), 6.29 (d, 1H, J = 1.3 Hz), 6.44 (d, 1H, J = 1.4 Hz), 7.09 (d, 2H, J = 7.6 Hz), 7.20-7.29 (m, 6H), 7.35 (d, 2H, J = 8.3 Hz), 7.48 (d, 2H, J = 8.3... | null | [('d', ['6.9Hz'], '3H', 1.07, 1.07), ('d', ['7.6Hz'], '3H', 1.08, 1.08), ('d', ['6.9Hz'], '3H', 1.11, 1.11), ('d', ['7.6Hz'], '3H', 1.12, 1.12), ('m', [], '2H', 1.36, 1.24), ('d', ['15.8Hz'], '1H', 5.13, 5.13), ('d', ['15.8Hz'], '1H', 5.25, 5.25), ('d', ['1.3Hz'], '1H', 6.29, 6.29), ('d', ['1.4Hz'], '1H', 6.44, 6.44), ... | 30 | 13 | 30 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(n(Cc4ccccc4)cc3C(c3ccc(Br)cc3)O1)ccc2 | 35 | 35 | [0.07815321 0.12929688 0.22893644 0.21171876] | [0.07677241 0.24082033 0.92237353 0.31113283] | 13C NMR | 150 MHz | CDCl3 | 12.4, 13.9, 16.98, 17.04, 17.1, 17.2, 49.9, 73.0, 110.5, 118.5, 121.5, 122.2, 123.8, 124.0, 124.3, 127.1, 127.9, 128.7, 129.0, 131.7, 132.9, 134.3, 137.8, 144.5 | null | [(12.4, None, None), (13.9, None, None), (16.98, None, None), (17.04, None, None), (17.1, None, None), (17.2, None, None), (49.9, None, None), (73.0, None, None), (110.5, None, None), (118.5, None, None), (121.5, None, None), (122.2, None, None), (123.8, None, None), (124.0, None, None), (124.3, None, None), (127.1, No... | 28 | 20 | 24 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(O)c2cc3ccccc3n2C)cc1 | 35 | 35 | [0.61086536 0.51015626 0.73900352 0.61015628] | [0.07622009 0.62421879 0.92126895 0.75546881] | 1H NMR | 600 MHz | CDCl3 | 2.06-2.08 (m, 1H), 2.41 (s, 3H), 3.69 (s, 3H), 4.50 (d, 1H, J = 13.7 Hz), 4.56 (d, 1H, J = 13.7 Hz), 5.68 (d, 1H, J = 6.9 Hz), 6.28 (s, 1H), 7.08-7.11 (m, 1H), 7.20-7.24 (m, 3H), 7.26-7.34 (m, 6H), 7.54 (d, 1H, J = 8.2 Hz), 7.71 (d, 2H, J = 8.3 Hz) | null | [('m', [], '1H', 2.08, 2.06), ('s', [], '3H', 2.41, 2.41), ('s', [], '3H', 3.69, 3.69), ('d', ['13.7Hz'], '1H', 4.5, 4.5), ('d', ['13.7Hz'], '1H', 4.56, 4.56), ('d', ['6.9Hz'], '1H', 5.68, 5.68), ('s', [], '1H', 6.28, 6.28), ('m', [], '1H', 7.11, 7.08), ('m', [], '3H', 7.24, 7.2), ('m', [], '6H', 7.34, 7.26), ('d', ['8... | 24 | 15 | 24 |
10.1002_anie.202300907 | Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C#CC(O)c2cc3ccccc3n2C)cc1 | 35 | 35 | [0.61086536 0.51015626 0.73900352 0.61015628] | [0.07622009 0.62421879 0.92126895 0.75546881] | 13C NMR | 150 MHz | CDCl3 | 21.3, 29.7, 55.1, 58.3, 70.1, 79.8, 101.1, 109.4, 119.8, 121.2, 122.4, 127.0, 127.9, 128.7, 128.9, 129.1, 130.1, 134.5, 134.7, 138.3, 138.6, 145.2 | null | [(21.3, None, None), (29.7, None, None), (55.1, None, None), (58.3, None, None), (70.1, None, None), (79.8, None, None), (101.1, None, None), (109.4, None, None), (119.8, None, None), (121.2, None, None), (122.4, None, None), (127.0, None, None), (127.9, None, None), (128.7, None, None), (128.9, None, None), (129.1, No... | 26 | 22 | 22 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(n(Cc4ccccc4)cc3C(c3n(C)c4c(cccc4)c3)O1)ccc2 | 36 | 36 | [0.07842937 0.57578127 0.23252652 0.66328129] | [0.07566777 0.69296881 0.92126895 0.78359376] | 13C NMR | 150 MHz | CDCl3 | 12.5, 13.8, 16.9, 17.07, 17.13, 17.4, 30.6, 49.9, 67.5, 101.5, 109.2, 110.6, 115.7, 119.5, 121.0, 121.8, 122.2, 123.8, 124.0, 124.6, 127.1, 127.3, 127.9, 129.0, 133.1, 134.5, 137.8, 138.8, 141.6 | null | [(12.5, None, None), (13.8, None, None), (16.9, None, None), (17.07, None, None), (17.13, None, None), (17.4, None, None), (30.6, None, None), (49.9, None, None), (67.5, None, None), (101.5, None, None), (109.2, None, None), (110.6, None, None), (115.7, None, None), (119.5, None, None), (121.0, None, None), (121.8, Non... | 31 | 25 | 29 |
10.1002_anie.202300907 | CC(C)(C)OC(=O)N(Cc1ccccc1)C#CCCO | 37 | 37 | [0.60147594 0.23027345 0.73845118 0.27285158] | [0.07677241 0.30898439 0.92182129 0.42070315] | 1H NMR | 600 MHz | CDCl3 | 1.50 (brs, 9H), 1.58 (d, 1H, J = 2.0 Hz), 2.50 (brs, 2H), 3.61 (brs, 2H), 4.55 (s, 2H), 7.27-7.37 (m, 5H) | null | [('brs', [], '9H', 1.5, 1.5), ('d', ['2.0Hz'], '1H', 1.58, 1.58), ('brs', [], '2H', 2.5, 2.5), ('brs', [], '2H', 3.61, 3.61), ('s', [], '2H', 4.55, 4.55), ('m', [], '5H', 7.37, 7.27)] | 21 | 8 | 21 |
10.1002_anie.202300907 | CC(C)(C)OC(=O)N(Cc1ccccc1)C#CCCO | 37 | 37 | [0.60147594 0.23027345 0.73845118 0.27285158] | [0.07677241 0.30898439 0.92182129 0.42070315] | 13C NMR | 150 MHz | CDCl3 | 22.5, 27.6, 52.4, 54.2, 61.0, 66.3, 82.4, 128.1, 128.4, 128.7, 136.8, 154.8 | null | [(22.5, None, None), (27.6, None, None), (52.4, None, None), (54.2, None, None), (61.0, None, None), (66.3, None, None), (82.4, None, None), (128.1, None, None), (128.4, None, None), (128.7, None, None), (136.8, None, None), (154.8, None, None)] | 16 | 12 | 12 |
10.1002_anie.202300907 | O=S(=O)(C(F)(F)F)Oc1c([Si](C)(C)C)cccc1[Si](OCCC#CN(Cc1ccccc1)C(=O)OC(C)(C)C)(C(C)C)C(C)C | 37 | 37 | [0.07815321 0.62148439 0.24412523 0.68007814] | [0.07456314 0.70859381 0.92403055 0.91875003] | 1H NMR | 500 MHz | CDCl3 | 0.36 (s, 9H), 0.98 (d, 6H, J = 7.5 Hz), 1.09 (d, 6H, J = 7.4 Hz), 1.37 (qq, 2H, J = 7.5, 7.4 Hz), 1.46 (brs, 9H), 2.55 (brs, 2H), 3.72 (t, 2H, J = 7.2 Hz), 4.52 (s, 2H), 7.27-7.37 (m, 6H), 7.59-7.63 (m, 2H) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.5Hz'], '6H', 0.98, 0.98), ('d', ['7.4Hz'], '6H', 1.09, 1.09), ('qq', ['7.5Hz', '7.4Hz'], '2H', 1.37, 1.37), ('brs', [], '9H', 1.46, 1.46), ('brs', [], '2H', 2.55, 2.55), ('t', ['7.2Hz'], '2H', 3.72, 3.72), ('s', [], '2H', 4.52, 4.52), ('m', [], '6H', 7.37, 7.27), ('m', [], '2H', ... | 46 | 13 | 46 |
10.1002_anie.202300907 | O=S(=O)(C(F)(F)F)Oc1c([Si](C)(C)C)cccc1[Si](OCCC#CN(Cc1ccccc1)C(=O)OC(C)(C)C)(C(C)C)C(C)C | 37 | 37 | [0.07815321 0.62148439 0.24412523 0.68007814] | [0.07456314 0.70859381 0.92403055 0.91875003] | 13C NMR | 150 MHz | CDCl3 | -0.2, 13.1, 17.4, 17.8, 22.2, 27.7, 52.7, 54.5, 62.8, 66.5, 82.2, 118.7 (q, JCF = 321 Hz), 127.3, 127.9, 128.4, 128.7, 130.3, 135.0, 137.0, 138.9, 139.1, 154.9, 156.0 | null | [(-0.2, None, None), (13.1, None, None), (17.4, None, None), (17.8, None, None), (22.2, None, None), (27.7, None, None), (52.7, None, None), (54.5, None, None), (62.8, None, None), (66.5, None, None), (82.2, None, None), (118.7, 'q', 321.0), (127.3, None, None), (127.9, None, None), (128.4, None, None), (128.7, None, N... | 32 | 22 | 23 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(n(Cc4ccccc4)cc3CCO1)ccc2 | 38 | 38 | [0.07822225 0.12988282 0.17149521 0.19960939] | [0.07622009 0.21953126 0.92403055 0.38828127] | 1H NMR | 600 MHz | CDCl3 | 1.02 (d, 6H, J = 7.6 Hz), 1.06 (d, 6H, J = 7.6 Hz), 1.24 (qq, 2H, J = 7.6, 7.6 Hz), 3.09-3.11 (m, 2H), 4.24-4.26 (m, 2H), 5.25 (s, 2H), 6.91 (s, 1H), 7.14-7.18 (m, 4H), 7.26-7.33 (m, 4H) | null | [('d', ['7.6Hz'], '6H', 1.02, 1.02), ('d', ['7.6Hz'], '6H', 1.06, 1.06), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.24, 1.24), ('m', [], '2H', 3.11, 3.09), ('m', [], '2H', 4.26, 4.24), ('s', [], '2H', 5.25, 5.25), ('s', [], '1H', 6.91, 6.91), ('m', [], '4H', 7.18, 7.14), ('m', [], '4H', 7.33, 7.26)] | 29 | 12 | 29 |
10.1002_anie.202300907 | CC(C)[Si]1(C(C)C)c2c3c(n(Cc4ccccc4)cc3CCO1)ccc2 | 38 | 38 | [0.07822225 0.12988282 0.17149521 0.19960939] | [0.07622009 0.21953126 0.92403055 0.38828127] | 13C NMR | 150 MHz | CDCl3 | 13.2, 16.9, 17.2, 31.7, 49.5, 65.8, 110.7, 116.7, 121.1, 125.4, 126.3, 127.4, 127.9, 128.4, 129.0, 133.1, 136.3, 137.9 | null | [(13.2, None, None), (16.9, None, None), (17.2, None, None), (31.7, None, None), (49.5, None, None), (65.8, None, None), (110.7, None, None), (116.7, None, None), (121.1, None, None), (125.4, None, None), (126.3, None, None), (127.4, None, None), (127.9, None, None), (128.4, None, None), (129.0, None, None), (133.1, No... | 23 | 17 | 18 |
10.1002_anie.202300907 | CC(C)(C)OC(=O)N(Cc1ccccc1)C#CCCCO | 38 | 38 | [0.60810377 0.46875004 0.76164859 0.50781254] | [0.07732473 0.55859379 0.92237353 0.66953131] | 1H NMR | 600 MHz | CDCl3 | 1.49 (brs, 9H), 1.70 (brs, 2H), 2.36 (brs, 2H), 3.68 (d, 2H, J = 5.5 Hz), 4.54 (s, 2H), 7.27-7.36 (m, 5H) | null | [('brs', [], '9H', 1.49, 1.49), ('brs', [], '2H', 1.7, 1.7), ('brs', [], '2H', 2.36, 2.36), ('d', ['5.5Hz'], '2H', 3.68, 3.68), ('s', [], '2H', 4.54, 4.54), ('m', [], '5H', 7.36, 7.27)] | 23 | 9 | 22 |
10.1002_anie.202300907 | CC(C)(C)OC(=O)N(Cc1ccccc1)C#CCCCO | 38 | 38 | [0.60810377 0.46875004 0.76164859 0.50781254] | [0.07732473 0.55859379 0.92237353 0.66953131] | 13C NMR | 150 MHz | CDCl3 | 14.7, 27.7, 31.1, 52.6, 54.3, 61.5, 69.0, 82.3, 127.9, 128.4, 128.7, 137.0, 155.0 | null | [(14.7, None, None), (27.7, None, None), (31.1, None, None), (52.6, None, None), (54.3, None, None), (61.5, None, None), (69.0, None, None), (82.3, None, None), (127.9, None, None), (128.4, None, None), (128.7, None, None), (137.0, None, None), (155.0, None, None)] | 17 | 13 | 13 |
10.1002_anie.202300907 | COC#CCO[Si](C(C)C)(C(C)C)c1cccc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F | 39 | 39 | [0.07863649 0.61250004 0.22341324 0.68515631] | [0.07566777 0.71171878 0.92292587 0.91953131] | 1H NMR | 600 MHz | CDCl3 | 0.36 (s, 9H), 1.03 (d, 6H, J = 7.6 Hz), 1.14 (d, 6H, J = 7.6 Hz), 1.41 (qq, 2H, J = 7.6, 7.6 Hz), 3.83 (s, 3H), 4.36 (s, 2H), 7.38 (dd, 1H, J = 7.6, 6.9 Hz), 7.61 (dd, 1H, J = 7.6, 1.4 Hz), 7.65 (dd, 1H, J = 6.9, 1.4 Hz) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.6Hz'], '6H', 1.03, 1.03), ('d', ['7.6Hz'], '6H', 1.14, 1.14), ('qq', ['7.6Hz', '7.6Hz'], '2H', 1.41, 1.41), ('s', [], '3H', 3.83, 3.83), ('s', [], '2H', 4.36, 4.36), ('dd', ['7.6Hz', '6.9Hz'], '1H', 7.38, 7.38), ('dd', ['7.6Hz', '1.4Hz'], '1H', 7.61, 7.61), ('dd', ['6.9Hz', '1.4H... | 31 | 8 | 31 |
10.1002_anie.202300907 | COC#CCO[Si](C(C)C)(C(C)C)c1cccc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F | 39 | 39 | [0.07863649 0.61250004 0.22341324 0.68515631] | [0.07566777 0.71171878 0.92292587 0.91953131] | 13C NMR | 150 MHz | CDCl3 | -0.1, 13.1, 17.4, 17.7, 35.7, 52.0, 65.4, 95.3, 118.7 (q, JCF = 321 Hz), 127.3, 130.2, 135.2, 138.98, 139.04, 156.0 | null | [(-0.1, None, None), (13.1, None, None), (17.4, None, None), (17.7, None, None), (35.7, None, None), (52.0, None, None), (65.4, None, None), (95.3, None, None), (118.7, 'q', 321.0), (127.3, None, None), (130.2, None, None), (135.2, None, None), (138.98, None, None), (139.04, None, None), (156.0, None, None)] | 20 | 14 | 15 |
10.1002_anie.202300907 | CSC#CCO[Si](C(C)C)(C(C)C)c1cccc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | 41 | 41 | [0.07836033 0.12988282 0.22368939 0.20175782] | [0.07677241 0.22968751 0.92126895 0.30234377] | 1H NMR | 500 MHz | CDCl3 | 0.36 (s, 9H), 1.04 (d, 6H, J = 7.4 Hz), 1.14 (d, 6H, J = 7.5 Hz), 1.43 (qq, 2H, J = 7.5, 7.4 Hz), 2.30 (s, 3H), 4.44 (s, 2H), 7.40 (dd, 1H, J = 7.5, 6.9 Hz), 7.63 (d, 1H, J = 7.5 Hz), 7.66 (d, 1H, J = 6.9 Hz) | null | [('s', [], '9H', 0.36, 0.36), ('d', ['7.4Hz'], '6H', 1.04, 1.04), ('d', ['7.5Hz'], '6H', 1.14, 1.14), ('qq', ['7.5Hz', '7.4Hz'], '2H', 1.43, 1.43), ('s', [], '3H', 2.3, 2.3), ('s', [], '2H', 4.44, 4.44), ('dd', ['7.5Hz', '6.9Hz'], '1H', 7.4, 7.4), ('d', ['7.5Hz'], '1H', 7.63, 7.63), ('d', ['6.9Hz'], '1H', 7.66, 7.66)] | 31 | 8 | 31 |
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