PMC:7291971 / 77445-79205
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1559 | 5-13 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1560 | 87-95 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1561 | 99-101 | CHEBI:86228;CHEBI:86228 | denotes | 4- |
T1562 | 101-107 | CHEBI:47853;CHEBI:47853 | denotes | chloro |
T1563 | 107-128 | CHEBI:86228;CHEBI:86228 | denotes | -3-nitrobenazaldehyde |
T1564 | 187-198 | CHEBI:15366;CHEBI:15366 | denotes | acetic acid |
T1565 | 276-282 | CHEBI:35607;CHEBI:35607 | denotes | sodium |
T1566 | 283-304 | CHEBI:28621;CHEBI:28621 | denotes | triacetoxyborohydride |
T1567 | 382-390 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1568 | 446-453 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T1569 | 454-460 | CHEBI:32139;CHEBI:32139 | denotes | NaHCO3 |
T1570 | 466-473 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T1571 | 592-598 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T1572 | 687-693 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T1573 | 720-724 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T1574 | 785-789 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T1575 | 818-823 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T1576 | 1398-1401 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T87653 | 5-13 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T87411 | 87-95 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T67786 | 99-101 | CHEBI:86228;CHEBI:86228 | denotes | 4- |
T2415 | 101-107 | CHEBI:47853;CHEBI:47853 | denotes | chloro |
T47993 | 107-128 | CHEBI:86228;CHEBI:86228 | denotes | -3-nitrobenazaldehyde |
T2831 | 187-198 | CHEBI:15366;CHEBI:15366 | denotes | acetic acid |
T81538 | 276-282 | CHEBI:35607;CHEBI:35607 | denotes | sodium |
T68096 | 283-304 | CHEBI:28621;CHEBI:28621 | denotes | triacetoxyborohydride |
T17174 | 382-390 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T52438 | 446-453 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T1797 | 454-460 | CHEBI:32139;CHEBI:32139 | denotes | NaHCO3 |
T62375 | 466-473 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T33887 | 592-598 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T87343 | 687-693 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T10295 | 720-724 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T78188 | 785-789 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T12440 | 818-823 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T3563 | 1398-1401 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1446 | 62-65 | Chemical | denotes | DCE | |
1447 | 99-128 | Chemical | denotes | 4-chloro-3-nitrobenazaldehyde | |
1448 | 170-173 | Chemical | denotes | DCE | |
1449 | 187-198 | Chemical | denotes | acetic acid | MESH:D019342 |
1450 | 269-274 | Chemical | denotes | argon | MESH:D001128 |
1451 | 276-304 | Chemical | denotes | sodium triacetoxyborohydride | |
1452 | 408-411 | Chemical | denotes | DCM | |
1453 | 454-460 | Chemical | denotes | NaHCO3 | MESH:D017693 |
1454 | 499-502 | Chemical | denotes | DCM | |
1455 | 566-571 | Chemical | denotes | brine | MESH:C017082 |
1456 | 592-598 | Chemical | denotes | Na2SO4 | |
1457 | 687-697 | Chemical | denotes | silica gel | MESH:D058428 |
1458 | 720-724 | Chemical | denotes | MeOH | |
1459 | 728-731 | Chemical | denotes | DCM | |
1460 | 785-789 | Chemical | denotes | MeOH | |
1461 | 790-793 | Chemical | denotes | DCM | |
1462 | 801-803 | Chemical | denotes | 1H | |
1463 | 818-823 | Chemical | denotes | CDCl3 | |
1464 | 836-838 | Chemical | denotes | 1H | |
1465 | 850-852 | Chemical | denotes | 1H | |
1466 | 864-866 | Chemical | denotes | 1H | |
1467 | 882-884 | Chemical | denotes | 2H | MESH:D003903 |
1468 | 901-903 | Chemical | denotes | 2H | MESH:D003903 |
1469 | 919-921 | Chemical | denotes | 2H | MESH:D003903 |
1470 | 1709-1725 | Chemical | denotes | C44H66N12O9Si2Cl | |
1471 | 1682-1686 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T412 | 3-4 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T413 | 85-86 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T414 | 130-132 | http://purl.obolibrary.org/obo/CLO_0050509 | denotes | 27 |
T415 | 532-539 | http://purl.obolibrary.org/obo/OBI_0100026 | denotes | organic |
T416 | 532-539 | http://purl.obolibrary.org/obo/UBERON_0000468 | denotes | organic |
T417 | 741-743 | http://purl.obolibrary.org/obo/CLO_0001000 | denotes | 35 |
T418 | 747-748 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T419 | 1727-1730 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T54842 | 5-13 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T87374 | 62-65 | Chemical | denotes | DCE | http://purl.obolibrary.org/obo/CHEBI_27789 |
T756 | 87-95 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T74109 | 101-107 | Chemical | denotes | chloro | http://purl.obolibrary.org/obo/CHEBI_47853 |
T5740 | 170-173 | Chemical | denotes | DCE | http://purl.obolibrary.org/obo/CHEBI_27789 |
T759 | 187-198 | Chemical | denotes | acetic acid | http://purl.obolibrary.org/obo/CHEBI_15366 |
T71199 | 194-198 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T32586 | 269-274 | Chemical | denotes | argon | http://purl.obolibrary.org/obo/CHEBI_49475 |
T94488 | 276-282 | Chemical | denotes | sodium | http://purl.obolibrary.org/obo/CHEBI_26708 |
T52531 | 382-390 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T68791 | 408-411 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T58335 | 454-460 | Chemical | denotes | NaHCO3 | http://purl.obolibrary.org/obo/CHEBI_32139 |
T85038 | 499-502 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T7488 | 592-598 | Chemical | denotes | Na2SO4 | http://purl.obolibrary.org/obo/CHEBI_32149 |
T90420 | 687-693 | Chemical | denotes | silica | http://purl.obolibrary.org/obo/CHEBI_30563 |
T12080 | 720-724 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T47925 | 728-731 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T16758 | 776-778 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T56935 | 785-789 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T65073 | 790-793 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T92650 | 801-803 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T24482 | 818-823 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
T46322 | 836-838 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T60945 | 850-852 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T82601 | 864-866 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T95044 | 963-965 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91404 | 989-991 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T68720 | 1028-1030 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T98770 | 1067-1069 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T97976 | 1093-1095 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T70613 | 1132-1134 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T67635 | 1158-1160 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T41136 | 1197-1199 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T38412 | 1237-1239 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T26872 | 1275-1277 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T56080 | 1416-1421 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T33 | 408-411 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T34 | 499-502 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T35 | 728-731 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T36 | 790-793 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T517 | 0-227 | Sentence | denotes | To a solution of 20 (100 mg, 0.12 mmol, 1.00 eq) in anhydrous DCE (3.5 mL) was added a solution of 4-chloro-3-nitrobenazaldehyde (27 mg, 0.18 mmol, 1.50 eq) in anhydrous DCE (3.5 mL) and acetic acid (10 μL, 0.18 mmol, 1.50 eq). |
T518 | 228-343 | Sentence | denotes | After stirring for 20 min at 40 °C under argon, sodium triacetoxyborohydride (38 mg, 0.18 mmol, 1.50 eq) was added. |
T519 | 344-461 | Sentence | denotes | After stirring at 40 °C for 16 h, the solution was diluted with DCM (30 mL) and washed with saturated aqueous NaHCO3. |
T520 | 462-629 | Sentence | denotes | The aqueous layer was extracted with DCM (3 × 30 mL) and the combined organic extracts were washed with brine (60 mL), dried over Na2SO4 and concentrated under vacuum. |
T521 | 630-775 | Sentence | denotes | The residue was purified by flash column chromatography (silica gel, linear gradient 0–5% MeOH in DCM) to give 35 as a white solid (105 mg, 87%). |
T522 | 776-800 | Sentence | denotes | Rf 0.71 (MeOH/DCM 5:95). |
T523 | 801-1397 | Sentence | denotes | 1H NMR (500 MHz, CDCl3) δ 8.27 (s, 1H), 8.18 (s, 1H), 8.15 (s, 1H), 7.82 (br. s, 2H), 7.29–7.27 (m, 2H), 6.22 (br. s, 2H), 6.20 (br. s, 2H), 6.10 (d, J = 3.6 Hz, 1H), 5.99 (d, J = 2.1 Hz, 1H), 5.37 (dd, J = 6.5 Hz, J = 2.1 Hz, 1H), 4.91 (dd, J = 6.5 Hz, J = 3.7 Hz, 1H), 4.48 (t, J = 5.1 Hz, 1H), 4.30 (td, J = 6.7 Hz, J = 3.6 Hz, 1H), 4.22 (t, J = 4.2 Hz, 1H), 4.07 (dt, J = 5.8 Hz, J = 3.0 Hz, 1H), 3.99 (dd, J = 11.5 Hz, J = 3.4 Hz, 1H), 3.81–3.72 (m, 2H), 3.71–3.66 (m, 1H), 3.65–3.61 (m, 2H), 2.90–2.70 (m, 4H), 1.57 (s, 3H), 1.36 (s, 3H), 0.92 (s, 9H), 0.86 (s, 9H), 0.14 – - 0.02 (m, 12H). |
T524 | 1398-1681 | Sentence | denotes | 13C NMR (125 MHz, CDCl3) δ 155.8, 155.7, 153.1, 153.0, 149.6, 149.0, 147.8, 140.6, 140.1, 139.3, 133.0, 131.4, 125.6, 125.2, 120.3, 120.1, 114.6, 90.8, 87.0, 85.7, 84.9, 84.0, 83.4, 82.8, 69.6, 69.3, 61.8, 58.2, 56.4, 53.5, 27.2, 26.2, 25.8, 25.4, 18.6, 18.2, −4.5, −4.7, −5.2, −5.3. |
T525 | 1682-1733 | Sentence | denotes | HRMS (ESI+): m/z calcd for C44H66N12O9Si2Cl [M+H]+: |
T526 | 1734-1750 | Sentence | denotes | 997.4297, found: |
T527 | 1751-1760 | Sentence | denotes | 997.4327. |