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PMC:7291971 / 72766-73938 JSONTXT

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LitCovid-PMC-OGER-BB

Id Subject Object Predicate Lexical cue
T1469 80-92 CHEBI:38472;CHEBI:38472 denotes acetonitrile
T1470 783-786 CHEBI:36927;CHEBI:36927 denotes 13C
T96175 80-92 CHEBI:38472;CHEBI:38472 denotes acetonitrile
T8921 783-786 CHEBI:36927;CHEBI:36927 denotes 13C

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1345 80-92 Chemical denotes acetonitrile MESH:C032159
1346 96-101 Chemical denotes TEAAc
1347 241-243 Chemical denotes 1H
1348 258-264 Chemical denotes DMSO‑d
1349 291-293 Chemical denotes 1H
1350 305-307 Chemical denotes 1H
1351 319-321 Chemical denotes 1H
1352 345-347 Chemical denotes 1H
1353 359-361 Chemical denotes 1H
1354 373-375 Chemical denotes 1H
1355 412-414 Chemical denotes 1H
1356 430-432 Chemical denotes 2H MESH:D003903
1357 1076-1084 Chemical denotes DMSO‑d 6
1358 1096-1100 Disease denotes HRMS
1359 1123-1132 CellLine denotes C29H32N12 CVCL:0189

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T396 53-54 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T397 143-145 http://purl.obolibrary.org/obo/CLO_0050510 denotes 18
T398 171-172 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T399 1140-1143 http://purl.obolibrary.org/obo/CLO_0007706 denotes M+H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T47431 80-92 Chemical denotes acetonitrile http://purl.obolibrary.org/obo/CHEBI_38472
T35557 102-108 Chemical denotes buffer http://purl.obolibrary.org/obo/CHEBI_35225
T37877 241-243 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T52101 258-262 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T48273 291-293 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T637 305-307 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T22825 319-321 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T23474 345-347 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T640 359-361 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T94081 373-375 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T8168 412-414 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T68874 474-476 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T63267 500-502 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T93792 526-528 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T58208 552-554 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T12607 591-593 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T94498 617-619 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T44455 643-645 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T97308 669-671 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T97343 695-697 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T78806 740-742 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T25804 801-805 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T68486 1076-1080 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T492 0-240 Sentence denotes Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm.
T493 241-782 Sentence denotes 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H).
T494 783-1057 Sentence denotes 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3.
T495 1058-1095 Sentence denotes 19F NMR (378 MHz, DMSO‑d 6): δ −62.8.
T496 1096-1146 Sentence denotes HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+:
T497 1147-1172 Sentence denotes 813.1986, Found 813.1988.