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PMC:7571312 / 66078-67185 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T524 374-375 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T525 472-483 http://purl.obolibrary.org/obo/CLO_0007698 denotes mg (38%) of
T526 506-507 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T527 901-903 http://purl.obolibrary.org/obo/CLO_0007874 denotes MS
T528 936-941 http://purl.obolibrary.org/obo/CLO_0007706 denotes M + H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T54206 23-36 Chemical denotes 1H-indol-2-yl http://purl.obolibrary.org/obo/CHEBI_51611
T76205 23-25 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T54283 37-45 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T639 49-55 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T641 56-61 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T2659 65-68 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T99382 98-103 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T36053 197-204 Chemical denotes methoxy http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520
T84024 205-218 Chemical denotes 1H-indol-2-yl http://purl.obolibrary.org/obo/CHEBI_51611
T72558 205-207 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T73227 219-227 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T64769 231-237 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T99752 238-243 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T76711 247-250 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T6710 280-293 Chemical denotes butyl acetate http://purl.obolibrary.org/obo/CHEBI_31328
T56439 280-285 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T87053 286-293 Chemical denotes acetate http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622
T43272 326-330 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T84518 434-444 Chemical denotes chloroform http://purl.obolibrary.org/obo/CHEBI_35255
T25451 445-458 Chemical denotes ethyl acetate http://purl.obolibrary.org/obo/CHEBI_27750
T64172 445-450 Chemical denotes ethyl http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801
T44252 451-458 Chemical denotes acetate http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622
T46481 521-523 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T72289 529-533 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T666 550-552 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T89315 574-576 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T57495 598-600 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T44704 612-614 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T670 626-628 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T671 640-642 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T27257 654-656 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T46988 668-670 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T674 692-694 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T675 716-718 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T94853 740-742 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T63231 810-812 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T16286 901-903 Chemical denotes MS http://purl.obolibrary.org/obo/CHEBI_73613
T14704 976-979 Chemical denotes H2O http://purl.obolibrary.org/obo/CHEBI_15377

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T409 0-124 Sentence denotes (3S)-3-({N-[(4-Methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-Cyanobenzoate (28)
T410 125-399 Sentence denotes Following the procedure described for the preparation of (3S)-3-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl acetate but substituting 2-cyanobenzoic acid and making noncritical variations provided a crude brown oily solid.
T411 400-520 Sentence denotes This material was triturated with chloroform/ethyl acetate to afford 91 mg (38%) of the title compound as a white solid.
T412 521-1009 Sentence denotes 1H NMR (DMSO-d6) δ 11.58 (s, 1H), 8.65 (d, J = 8 Hz, 1H), 8.46 (d, J = 8 Hz, 1H), 8.17 (m, 1H), 8.04 (m, 1H), 7.88 (m, 1H), 7.65 (s, 1H), 7.37 (s, 1H), 7.08 (t, J = 8 Hz, 1H), 6.99 (d, J = 8 Hz, 1H), 6.49 (d, J = 8 Hz, 1H), 5.19 (m, 2H), 4.50 (m, 2H), 3.87 (s, 3H), 3.11 (m, 2H), 2.32 (m, 1H), 2.07–1.97 (m, 2H), 1.76–1.56 (m, 5H), 0.94 (d, J = 6 Hz, 3H), 0.89 (d, J = 6 Hz, 3H); MS (ESI+) for C32H35N5O7m/z 602.2 (M + H)+; anal. calcd for C32H35N5O7·0.4 H2O: C, 63.12, H, 5.93; N, 11.50.
T413 1010-1107 Sentence denotes Found: C, 63.16; H, 5.96; N, 11.43; HRMS (ESI+) calcd for C32H35N5O7+H1 602.2609, found 602.2610.

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1439 311-330 Chemical denotes 2-cyanobenzoic acid
1440 434-444 Chemical denotes chloroform MESH:D002725
1441 445-458 Chemical denotes ethyl acetate MESH:C007650
1442 961-971 Chemical denotes C32H35N5O7
1443 976-979 Chemical denotes H2O
1444 981-982 Chemical denotes C MESH:D002244
1445 1000-1001 Chemical denotes N MESH:D009584
1446 1017-1018 Chemical denotes C MESH:D002244
1447 1036-1037 Chemical denotes N MESH:D009584
1448 1068-1078 Chemical denotes C32H35N5O7
1449 1046-1050 Disease denotes HRMS