PMC:7291971 / 42171-44173
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T866 | 57-58 | CHEBI:53233;CHEBI:53233 | denotes | - |
T867 | 58-62 | CHEBI:52029;CHEBI:52029 | denotes | 2,2- |
T868 | 62-71 | CHEBI:53233;CHEBI:53233 | denotes | dimethyl- |
T869 | 71-81 | CHEBI:52029;CHEBI:52029 | denotes | tetrahydro |
T870 | 81-84 | CHEBI:53233;CHEBI:53233 | denotes | -2H |
T871 | 98-101 | CHEBI:52029;CHEBI:52029 | denotes | 1,3 |
T872 | 101-102 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T873 | 102-108 | CHEBI:52029;CHEBI:52029 | denotes | dioxol |
T874 | 108-113 | CHEBI:53233;CHEBI:53233 | denotes | -4-yl |
T875 | 160-169 | CHEBI:53233;CHEBI:53233 | denotes | 4-[(tert- |
T876 | 169-187 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T877 | 187-188 | CHEBI:53233;CHEBI:53233 | denotes | ) |
T878 | 188-191 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T879 | 191-203 | CHEBI:53233;CHEBI:53233 | denotes | ]-5-{[(tert- |
T880 | 203-221 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T881 | 221-222 | CHEBI:53233;CHEBI:53233 | denotes | ) |
T882 | 222-225 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T883 | 225-226 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T884 | 226-232 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T885 | 232-233 | CHEBI:53233;CHEBI:53233 | denotes | } |
T886 | 233-239 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T887 | 239-244 | CHEBI:53233;CHEBI:53233 | denotes | -3-yl |
T888 | 245-248 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T889 | 249-254 | CHEBI:37807;CHEBI:37807 | denotes | ethyl |
T890 | 255-260 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T891 | 275-281 | CHEBI:75508;CHEBI:75508 | denotes | butoxy |
T892 | 282-290 | CHEBI:23019;CHEBI:23019 | denotes | carbonyl |
T893 | 291-296 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T894 | 297-306 | CHEBI:17968;CHEBI:17968 | denotes | butanoate |
T895 | 317-325 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T896 | 395-403 | CHEBI:17478;CHEBI:17478 | denotes | aldehyde |
T897 | 464-475 | CHEBI:15366;CHEBI:15366 | denotes | acetic acid |
T898 | 564-570 | CHEBI:35607;CHEBI:35607 | denotes | sodium |
T899 | 571-592 | CHEBI:28621;CHEBI:28621 | denotes | triacetoxyborohydride |
T900 | 670-677 | CHEBI:60004;CHEBI:60004 | denotes | mixture |
T901 | 733-740 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T902 | 741-747 | CHEBI:32139;CHEBI:32139 | denotes | NaHCO3 |
T903 | 761-768 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T904 | 879-885 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T905 | 974-980 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T906 | 1007-1011 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T907 | 1072-1076 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T908 | 1105-1110 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T909 | 1636-1639 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T28859 | 57-58 | CHEBI:53233;CHEBI:53233 | denotes | - |
T41785 | 58-62 | CHEBI:52029;CHEBI:52029 | denotes | 2,2- |
T97314 | 62-71 | CHEBI:53233;CHEBI:53233 | denotes | dimethyl- |
T32713 | 71-81 | CHEBI:52029;CHEBI:52029 | denotes | tetrahydro |
T98800 | 81-84 | CHEBI:53233;CHEBI:53233 | denotes | -2H |
T70619 | 98-101 | CHEBI:52029;CHEBI:52029 | denotes | 1,3 |
T56184 | 101-102 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T16818 | 102-108 | CHEBI:52029;CHEBI:52029 | denotes | dioxol |
T71070 | 108-113 | CHEBI:53233;CHEBI:53233 | denotes | -4-yl |
T17264 | 160-169 | CHEBI:53233;CHEBI:53233 | denotes | 4-[(tert- |
T92170 | 169-187 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T11160 | 187-188 | CHEBI:53233;CHEBI:53233 | denotes | ) |
T1841 | 188-191 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T29745 | 191-203 | CHEBI:53233;CHEBI:53233 | denotes | ]-5-{[(tert- |
T95154 | 203-221 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T61817 | 221-222 | CHEBI:53233;CHEBI:53233 | denotes | ) |
T88971 | 222-225 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T34714 | 225-226 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T89053 | 226-232 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T20420 | 232-233 | CHEBI:53233;CHEBI:53233 | denotes | } |
T79823 | 233-239 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T49653 | 239-244 | CHEBI:53233;CHEBI:53233 | denotes | -3-yl |
T84503 | 245-248 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T87203 | 249-254 | CHEBI:37807;CHEBI:37807 | denotes | ethyl |
T18939 | 255-260 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T75533 | 275-281 | CHEBI:75508;CHEBI:75508 | denotes | butoxy |
T37718 | 282-290 | CHEBI:23019;CHEBI:23019 | denotes | carbonyl |
T50416 | 291-296 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T88272 | 297-306 | CHEBI:17968;CHEBI:17968 | denotes | butanoate |
T18742 | 317-325 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T4622 | 395-403 | CHEBI:17478;CHEBI:17478 | denotes | aldehyde |
T82195 | 464-475 | CHEBI:15366;CHEBI:15366 | denotes | acetic acid |
T9375 | 564-570 | CHEBI:35607;CHEBI:35607 | denotes | sodium |
T8158 | 571-592 | CHEBI:28621;CHEBI:28621 | denotes | triacetoxyborohydride |
T27845 | 670-677 | CHEBI:60004;CHEBI:60004 | denotes | mixture |
T73639 | 733-740 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T71101 | 741-747 | CHEBI:32139;CHEBI:32139 | denotes | NaHCO3 |
T96786 | 761-768 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T30010 | 879-885 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T67189 | 974-980 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T22030 | 1007-1011 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T49057 | 1072-1076 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T81566 | 1105-1110 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T29671 | 1636-1639 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
759 | 374-377 | Chemical | denotes | DCM | |
760 | 395-403 | Chemical | denotes | aldehyde | MESH:D000447 |
761 | 449-452 | Chemical | denotes | DCM | |
762 | 464-475 | Chemical | denotes | acetic acid | MESH:D019342 |
763 | 557-562 | Chemical | denotes | argon | MESH:D001128 |
764 | 564-592 | Chemical | denotes | sodium triacetoxyborohydride | |
765 | 616-618 | Chemical | denotes | eq | |
766 | 695-698 | Chemical | denotes | DCM | |
767 | 741-747 | Chemical | denotes | NaHCO3 | MESH:D017693 |
768 | 794-797 | Chemical | denotes | DCM | |
769 | 861-866 | Chemical | denotes | brine | MESH:C017082 |
770 | 879-885 | Chemical | denotes | Na2SO4 | |
771 | 974-984 | Chemical | denotes | silica gel | MESH:D058428 |
772 | 1007-1011 | Chemical | denotes | MeOH | |
773 | 1015-1018 | Chemical | denotes | DCM | |
774 | 1072-1076 | Chemical | denotes | MeOH | |
775 | 1077-1080 | Chemical | denotes | DCM | |
776 | 1950-1965 | Chemical | denotes | C52H87N12O13Si2 | |
777 | 1923-1927 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T300 | 308-310 | http://purl.obolibrary.org/obo/CLO_0050507 | denotes | 22 |
T301 | 315-316 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T302 | 827-834 | http://purl.obolibrary.org/obo/OBI_0100026 | denotes | organic |
T303 | 827-834 | http://purl.obolibrary.org/obo/UBERON_0000468 | denotes | organic |
T304 | 1028-1030 | http://purl.obolibrary.org/obo/CLO_0050507 | denotes | 22 |
T305 | 1036-1042 | http://purl.obolibrary.org/obo/CLO_0007701 | denotes | mg, 93 |
T306 | 1048-1049 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T307 | 1967-1970 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T745 | 35-56 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T746 | 37-42 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T747 | 62-70 | Chemical | denotes | dimethyl | http://purl.obolibrary.org/obo/CHEBI_33601|http://purl.obolibrary.org/obo/CHEBI_42266 |
T749 | 114-120 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T751 | 137-158 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T752 | 139-144 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T753 | 188-191 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T754 | 222-225 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T755 | 226-232 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T757 | 245-248 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T758 | 249-254 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T760 | 255-260 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T761 | 282-290 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T762 | 291-296 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T763 | 297-306 | Chemical | denotes | butanoate | http://purl.obolibrary.org/obo/CHEBI_17968 |
T764 | 317-325 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T765 | 374-377 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T766 | 395-403 | Chemical | denotes | aldehyde | http://purl.obolibrary.org/obo/CHEBI_17478 |
T767 | 449-452 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T768 | 464-475 | Chemical | denotes | acetic acid | http://purl.obolibrary.org/obo/CHEBI_15366 |
T769 | 471-475 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T770 | 557-562 | Chemical | denotes | argon | http://purl.obolibrary.org/obo/CHEBI_49475 |
T771 | 564-570 | Chemical | denotes | sodium | http://purl.obolibrary.org/obo/CHEBI_26708 |
T772 | 670-677 | Chemical | denotes | mixture | http://purl.obolibrary.org/obo/CHEBI_60004 |
T773 | 695-698 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T774 | 741-747 | Chemical | denotes | NaHCO3 | http://purl.obolibrary.org/obo/CHEBI_32139 |
T775 | 794-797 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T776 | 879-885 | Chemical | denotes | Na2SO4 | http://purl.obolibrary.org/obo/CHEBI_32149 |
T777 | 974-980 | Chemical | denotes | silica | http://purl.obolibrary.org/obo/CHEBI_30563 |
T778 | 1007-1011 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T779 | 1015-1018 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T780 | 1063-1065 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T781 | 1072-1076 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T782 | 1077-1080 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T783 | 1088-1090 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T784 | 1105-1110 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
T785 | 1123-1125 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T786 | 1137-1139 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T787 | 1151-1153 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T788 | 1165-1167 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T789 | 1191-1193 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T790 | 1217-1219 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T791 | 1270-1272 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T792 | 1308-1310 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T793 | 1347-1349 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T794 | 1366-1368 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T795 | 1405-1407 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T796 | 1445-1447 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T797 | 1521-1523 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T798 | 1540-1542 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T799 | 1654-1659 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T12 | 374-377 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T13 | 449-452 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T14 | 695-698 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T15 | 794-797 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T16 | 1015-1018 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T17 | 1077-1080 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T311 | 0-311 | Sentence | denotes | 4.1.9 Methyl (2S)-4-({[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d] [1,3]dioxol-4-yl]methyl}(2-{[(2R,5R)-2-(6-amino-9H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-3-yl]oxy}ethyl)amino)-2-{bis[(tert-butoxy)carbonyl]amino}butanoate (22) |
T312 | 312-504 | Sentence | denotes | To a solution of 20 (250 mg, 0.30 mmol, 1.00 eq) in anhydrous DCM (9 mL) was added aldehyde 21 (120 mg, 0.36 mmol, 1.20 eq) in anhydrous DCM (9 mL) and acetic acid (20 μL, 0.36 mmol, 1.20 eq). |
T313 | 505-630 | Sentence | denotes | After stirring for 20 min at room temperature under argon, sodium triacetoxyborohydride (96 mg, 0.45 mmol, 1.5 eq) was added. |
T314 | 631-756 | Sentence | denotes | After stirring for 2.5 h, the reaction mixture was diluted with DCM (30 mL) and washed with saturated aqueous NaHCO3 (30 mL). |
T315 | 757-916 | Sentence | denotes | The aqueous layer was extracted with DCM (3 × 30 mL) and the combined organic extracts were washed with brine, dried over Na2SO4 and concentrated under vacuum. |
T316 | 917-1062 | Sentence | denotes | The residue was purified by flash column chromatography (silica gel, linear gradient 0–8% MeOH in DCM) to give 22 (321 mg, 93%) as a white solid. |
T317 | 1063-1087 | Sentence | denotes | Rf 0.71 (MeOH/DCM 5:95). |
T318 | 1088-1635 | Sentence | denotes | 1H NMR (600 MHz, CDCl3) δ 8.33 (s, 1H), 8.30 (s, 1H), 8.17 (s, 1H), 7.93 (s, 1H), 6.09 (d, J = 3.3 Hz, 1H), 6.01 (d, J = 2.4 Hz, 1H), 5.97 (m, 4H), 5.42 (dd, J = 6.5 Hz, J = 2.4 Hz, 1H), 4.93–4.86 (m, 2H), 4.54–4.49 (m, 1H), 4.33 (td, J = 6.8 Hz, J = 3.3 Hz, 1H), 4.29–4.24 (m, 1H), 4.08 (dt, J = 6.2 Hz, J = 3.2 Hz, 1H), 3.99 (dd, J = 11.5 Hz, J = 3.7 Hz, 1H), 3.78–3.63 (m, 6H), 2.84–2.74 (m, 3H), 2.71–2.51 (m, 3H), 2.33–2.23 (m, 1H), 1.91–1.82 (m, 1H), 1.58 (s, 3H), 1.46 (s, 18H), 1.36 (s, 3H), 0.91 (s, 9H), 0.90 (s, 9H), 0.10–0.05 (m, 12H). |
T319 | 1636-1922 | Sentence | denotes | 13C NMR (125 MHz, CDCl3) δ 171.6, 155.8, 155.7, 153.3, 153.2, 152.3, 149.7, 149.5, 140.1, 139.8, 120.5, 120.4, 114.5, 91.1, 87.4, 85.45, 84.8, 84.1, 83.3, 83.3, 82.5, 69.9, 69.1, 61.9, 56.3, 56.3, 53.7, 52.4, 52.1, 28.1, 28.1, 27.3, 26.2, 26.0, 25.6, 18.7, 18.3, −4.3, −4.6, −5.2, −5.2. |
T320 | 1923-1973 | Sentence | denotes | HRMS (ESI+): m/z calcd for C52H87N12O13Si2 [M+H]+: |
T321 | 1974-1991 | Sentence | denotes | 1143.6049, found: |
T322 | 1992-2002 | Sentence | denotes | 1143.6043. |