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PMC:7291971 / 39041-40469
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T821 | 5-13 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T822 | 84-89 | CHEBI:32031;CHEBI:32031 | denotes | K2CO3 |
T823 | 122-132 | CHEBI:48498;CHEBI:48498 | denotes | thiophenol |
T824 | 231-238 | CHEBI:60004;CHEBI:60004 | denotes | mixture |
T825 | 288-295 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T826 | 296-300 | CHEBI:32145;CHEBI:32145 | denotes | NaOH |
T827 | 301-309 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T828 | 323-330 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T829 | 441-447 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T830 | 536-542 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T831 | 570-574 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T832 | 654-658 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T833 | 682-687 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T834 | 1121-1124 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T10400 | 5-13 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T2918 | 84-89 | CHEBI:32031;CHEBI:32031 | denotes | K2CO3 |
T54095 | 122-132 | CHEBI:48498;CHEBI:48498 | denotes | thiophenol |
T6657 | 231-238 | CHEBI:60004;CHEBI:60004 | denotes | mixture |
T33281 | 288-295 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T65041 | 296-300 | CHEBI:32145;CHEBI:32145 | denotes | NaOH |
T40366 | 301-309 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1989 | 323-330 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T99804 | 441-447 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T52387 | 536-542 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T84377 | 570-574 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T32932 | 654-658 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T16692 | 682-687 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T39500 | 1121-1124 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
676 | 62-65 | Chemical | denotes | DMF | |
677 | 84-89 | Chemical | denotes | K2CO3 | MESH:C037593 |
678 | 122-132 | Chemical | denotes | thiophenol | MESH:C042983 |
679 | 211-216 | Chemical | denotes | argon | MESH:D001128 |
680 | 256-259 | Chemical | denotes | DCM | |
681 | 296-300 | Chemical | denotes | NaOH | |
682 | 356-359 | Chemical | denotes | DCM | |
683 | 423-428 | Chemical | denotes | brine | MESH:C017082 |
684 | 441-447 | Chemical | denotes | Na2SO4 | |
685 | 536-546 | Chemical | denotes | silica gel | MESH:D058428 |
686 | 570-574 | Chemical | denotes | MeOH | |
687 | 578-581 | Chemical | denotes | DCM | |
688 | 654-658 | Chemical | denotes | MeOH | |
689 | 659-662 | Chemical | denotes | DCM | |
690 | 1379-1393 | Chemical | denotes | C37H62N11O7Si2 | |
691 | 1352-1356 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T286 | 3-4 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T287 | 134-136 | http://purl.obolibrary.org/obo/CLO_0053733 | denotes | 11 |
T288 | 389-396 | http://purl.obolibrary.org/obo/OBI_0100026 | denotes | organic |
T289 | 389-396 | http://purl.obolibrary.org/obo/UBERON_0000468 | denotes | organic |
T290 | 625-626 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T291 | 1395-1398 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T673 | 5-13 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T674 | 62-65 | Chemical | denotes | DMF | http://purl.obolibrary.org/obo/CHEBI_17741 |
T675 | 84-89 | Chemical | denotes | K2CO3 | http://purl.obolibrary.org/obo/CHEBI_131526 |
T676 | 122-132 | Chemical | denotes | thiophenol | http://purl.obolibrary.org/obo/CHEBI_48498 |
T677 | 211-216 | Chemical | denotes | argon | http://purl.obolibrary.org/obo/CHEBI_49475 |
T678 | 231-238 | Chemical | denotes | mixture | http://purl.obolibrary.org/obo/CHEBI_60004 |
T679 | 256-259 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T680 | 296-300 | Chemical | denotes | NaOH | http://purl.obolibrary.org/obo/CHEBI_32145 |
T681 | 301-309 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T682 | 356-359 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T683 | 441-447 | Chemical | denotes | Na2SO4 | http://purl.obolibrary.org/obo/CHEBI_32149 |
T684 | 536-542 | Chemical | denotes | silica | http://purl.obolibrary.org/obo/CHEBI_30563 |
T685 | 570-574 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T686 | 578-581 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T687 | 640-642 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T688 | 654-658 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T689 | 659-662 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T690 | 665-667 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T691 | 682-687 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
T692 | 700-702 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T693 | 714-716 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T694 | 728-730 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T695 | 742-744 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T696 | 787-789 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T697 | 826-828 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T698 | 845-847 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T699 | 864-866 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T700 | 922-924 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T701 | 962-964 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T702 | 1002-1004 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T703 | 1139-1144 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T7 | 256-259 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T8 | 356-359 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T9 | 578-581 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T10 | 659-662 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T288 | 0-161 | Sentence | denotes | To a solution of 19 (210 mg, 0.20 mmol, 1.00 eq) in anhydrous DMF (10 mL) was added K2CO3 (85 mg, 0.61 mmol, 3.00 eq) and thiophenol (11 μL, 1.14 mmol, 5.70 eq). |
T289 | 162-318 | Sentence | denotes | After stirring for 2 h at room temperature under argon, the reaction mixture was diluted with DCM (20 mL) and washed with 1 M aqueous NaOH solution (10 mL). |
T290 | 319-478 | Sentence | denotes | The aqueous layer was extracted with DCM (3 × 20 mL) and the combined organic extracts were washed with brine, dried over Na2SO4 and concentrated under vacuum. |
T291 | 479-639 | Sentence | denotes | The residue was purified by flash column chromatography (silica gel, linear gradient 0–15% MeOH in DCM) as the eluent to give 20 (129 mg, 76%) as a white solid. |
T292 | 640-664 | Sentence | denotes | Rf 0.31 (8:92 MeOH/DCM). |
T293 | 665-1120 | Sentence | denotes | 1H NMR (500 MHz, CDCl3) δ 8.32 (s, 1H), 8.31 (s, 1H), 8.17 (s, 1H), 7.93 (s, 1H), 6.17–6.06 (m, 5H), 6.03 (d, J = 2.9 Hz, 1H), 5.39 (dd, J = 6.5 Hz, J = 3.0 Hz, 1H), 4.99–4.92 (m, 1H), 4.51–4.45 (m, 1H), 4.33–4.25 (m, 2H), 4.08 (dt, J = 5.6 Hz, J = 3.2 Hz, 1H), 3.98 (dd, J = 11.5 Hz, J = 3.6 Hz, 1H), 3.75 (dd, J = 11.6 Hz, J = 2.8 Hz, 1H), 3.71–3.63 (m, 2H), 2.95–2.69 (m, 4H), 1.61 (s, 3H), 1.37 (s, 3H), 0.92 (s, 9H), 0.88 (s, 9H), 0.13–0.04 (m, 12H). |
T294 | 1121-1351 | Sentence | denotes | 13C NMR (125 MHz, CDCl3) δ 155.8, 155.7, 153.3, 153.1, 149.7, 149.6, 139.8, 139.4, 120.5, 120.3, 114.8, 90.7, 87.2, 85.8, 85.1, 83.9, 82.6, 82.4, 70.3, 70.13, 62.0, 51.5, 49.5, 27.4, 26.2, 25.8, 18.6, 18.2, −4.5, −4.8, −5.2, −5.3. |
T295 | 1352-1401 | Sentence | denotes | HRMS (ESI+): m/z calcd for C37H62N11O7Si2 [M+H]+: |
T296 | 1402-1418 | Sentence | denotes | 828.4372, found: |
T297 | 1419-1428 | Sentence | denotes | 828.4371. |