PMC:7291971 / 79477-81147
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1604 | 5-13 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1605 | 85-103 | CHEBI:28105;CHEBI:28105 | denotes | chlorobenzaldehyde |
T1606 | 160-171 | CHEBI:15366;CHEBI:15366 | denotes | acetic acid |
T1607 | 249-255 | CHEBI:35607;CHEBI:35607 | denotes | sodium |
T1608 | 256-277 | CHEBI:28621;CHEBI:28621 | denotes | triacetoxyborohydride |
T1609 | 355-363 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1610 | 419-426 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T1611 | 427-433 | CHEBI:32139;CHEBI:32139 | denotes | NaHCO3 |
T1612 | 439-446 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T1613 | 565-571 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T1614 | 660-666 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T1615 | 693-697 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T1616 | 769-773 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T1617 | 805-810 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T1618 | 1322-1325 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T88984 | 5-13 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T47720 | 85-103 | CHEBI:28105;CHEBI:28105 | denotes | chlorobenzaldehyde |
T55812 | 160-171 | CHEBI:15366;CHEBI:15366 | denotes | acetic acid |
T35920 | 249-255 | CHEBI:35607;CHEBI:35607 | denotes | sodium |
T25301 | 256-277 | CHEBI:28621;CHEBI:28621 | denotes | triacetoxyborohydride |
T82736 | 355-363 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T62757 | 419-426 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T3173 | 427-433 | CHEBI:32139;CHEBI:32139 | denotes | NaHCO3 |
T55909 | 439-446 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T40813 | 565-571 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T94720 | 660-666 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T85547 | 693-697 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T43861 | 769-773 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T67038 | 805-810 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T80677 | 1322-1325 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1490 | 62-65 | Chemical | denotes | DCE | |
1491 | 83-103 | Chemical | denotes | 4-chlorobenzaldehyde | MESH:C052044 |
1492 | 145-148 | Chemical | denotes | DCE | |
1493 | 160-171 | Chemical | denotes | acetic acid | MESH:D019342 |
1494 | 242-247 | Chemical | denotes | argon | MESH:D001128 |
1495 | 249-277 | Chemical | denotes | sodium triacetoxyborohydride | |
1496 | 381-384 | Chemical | denotes | DCM | |
1497 | 427-433 | Chemical | denotes | NaHCO3 | MESH:D017693 |
1498 | 472-475 | Chemical | denotes | DCM | |
1499 | 539-544 | Chemical | denotes | brine | MESH:C017082 |
1500 | 565-571 | Chemical | denotes | Na2SO4 | |
1501 | 660-670 | Chemical | denotes | silica gel | MESH:D058428 |
1502 | 693-697 | Chemical | denotes | MeOH | |
1503 | 701-704 | Chemical | denotes | DCM | |
1504 | 769-773 | Chemical | denotes | MeOH | |
1505 | 774-780 | Chemical | denotes | CH2Cl2 | |
1506 | 1619-1635 | Chemical | denotes | C44H67N11O7Si2Cl | |
1507 | 1592-1596 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T421 | 3-4 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T422 | 173-175 | http://purl.obolibrary.org/obo/CLO_0050510 | denotes | 18 |
T423 | 505-512 | http://purl.obolibrary.org/obo/OBI_0100026 | denotes | organic |
T424 | 505-512 | http://purl.obolibrary.org/obo/UBERON_0000468 | denotes | organic |
T425 | 714-716 | http://purl.obolibrary.org/obo/CLO_0001313 | denotes | 36 |
T426 | 720-721 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T427 | 1637-1640 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T44833 | 5-13 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T58625 | 62-65 | Chemical | denotes | DCE | http://purl.obolibrary.org/obo/CHEBI_27789 |
T43549 | 83-103 | Chemical | denotes | 4-chlorobenzaldehyde | http://purl.obolibrary.org/obo/CHEBI_28105 |
T25852 | 145-148 | Chemical | denotes | DCE | http://purl.obolibrary.org/obo/CHEBI_27789 |
T810 | 160-171 | Chemical | denotes | acetic acid | http://purl.obolibrary.org/obo/CHEBI_15366 |
T10046 | 167-171 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T48049 | 242-247 | Chemical | denotes | argon | http://purl.obolibrary.org/obo/CHEBI_49475 |
T71134 | 249-255 | Chemical | denotes | sodium | http://purl.obolibrary.org/obo/CHEBI_26708 |
T97988 | 355-363 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T71462 | 381-384 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T34804 | 427-433 | Chemical | denotes | NaHCO3 | http://purl.obolibrary.org/obo/CHEBI_32139 |
T68978 | 472-475 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T83602 | 565-571 | Chemical | denotes | Na2SO4 | http://purl.obolibrary.org/obo/CHEBI_32149 |
T96745 | 660-666 | Chemical | denotes | silica | http://purl.obolibrary.org/obo/CHEBI_30563 |
T87703 | 693-697 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T12735 | 701-704 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T3817 | 760-762 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T45120 | 769-773 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T77370 | 788-790 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T19055 | 805-810 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
T59650 | 823-825 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T38510 | 837-839 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T1609 | 851-853 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T45876 | 865-867 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T41693 | 910-912 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T29338 | 936-938 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T74783 | 994-996 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T30652 | 1033-1035 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T46105 | 1059-1061 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T46041 | 1098-1100 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T71804 | 1124-1126 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T71447 | 1163-1165 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T43485 | 1203-1205 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T35540 | 1340-1345 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T37 | 381-384 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T38 | 472-475 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T39 | 701-704 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T529 | 0-200 | Sentence | denotes | To a solution of 20 (210 mg, 0.25 mmol, 1.00 eq) in anhydrous DCE (7 mL) was added 4-chlorobenzaldehyde (43 mg, 0.38 mmol, 1.50 eq) in anhydrous DCE (7 mL) and acetic acid (18 μL, 0.38 mmol, 1.50 eq). |
T530 | 201-316 | Sentence | denotes | After stirring for 20 min at 40 °C under argon, sodium triacetoxyborohydride (81 mg, 0.38 mmol, 1.50 eq) was added. |
T531 | 317-434 | Sentence | denotes | After stirring at 40 °C for 16 h, the solution was diluted with DCM (50 mL) and washed with saturated aqueous NaHCO3. |
T532 | 435-602 | Sentence | denotes | The aqueous layer was extracted with DCM (3 × 50 mL) and the combined organic extracts were washed with brine (70 mL), dried over Na2SO4 and concentrated under vacuum. |
T533 | 603-759 | Sentence | denotes | The residue was purified by flash column chromatography (silica gel, linear gradient 0–5% MeOH in DCM) to give 36 as a white solid (172 mg, 0.18 mmol, 72%). |
T534 | 760-787 | Sentence | denotes | Rf 0.71 (MeOH/CH2Cl2 5:95). |
T535 | 788-1321 | Sentence | denotes | 1H NMR (600 MHz, CDCl3) δ 8.30 (s, 1H), 8.20 (s, 1H), 8.15 (s, 1H), 7.83 (s, 1H), 7.19–7.07 (m, 4H), 6.11 (d, J = 3.7 Hz, 1H), 5.99 (d, J = 2.2 Hz, 1H), 5.97–5.83 (m, 4H), 5.37 (dd, J = 6.5 Hz, J = 2.2 Hz, 1H), 4.85 (dd, J = 6.4 Hz, J = 3.4 Hz, 1H), 4.49 (t, J = 5.1 Hz, 1H), 4.32 (td, J = 6.7 Hz, J = 3.3 Hz, 1H), 4.26 (t, J = 4.2 Hz, 1H), 4.08 (dt, J = 5.9 Hz, J = 3.1 Hz, 1H), 3.98 (dd, J = 11.5 Hz, J = 3.6 Hz, 1H), 3.79–3.47 (m, 5H), 2.84–2.66 (m, 4H), 1.58 (s, 3H), 1.36 (s, 3H), 0.92 (s, 9H), 0.88 (s, 9H), 0.13–0.02 (m, 12H). |
T536 | 1322-1591 | Sentence | denotes | 13C NMR (150 MHz, CDCl3) δ 155.7, 155.6, 153.1, 153.1, 149.7, 149.3, 140.0, 139.5, 137.8, 132.8, 130.1, 128.4, 120.5, 120.3, 114.4, 91.0, 87.2, 85.7, 84.9, 84.0, 83.5, 82.7, 69.8, 69.5, 61.3, 58.6, 56.4, 53.6, 27.3, 26.2, 25.9, 25.5, 18.6, 18.2, −4.5, −4.7, −5.2, −5.3. |
T537 | 1592-1643 | Sentence | denotes | HRMS (ESI+): m/z calcd for C44H67N11O7Si2Cl [M+H]+: |
T538 | 1644-1660 | Sentence | denotes | 952.4447, found: |
T539 | 1661-1670 | Sentence | denotes | 952.4426. |