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PMC:7571312 / 60366-61420 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T503 384-385 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T504 517-518 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T505 945-947 http://purl.obolibrary.org/obo/CLO_0007874 denotes MS
T506 982-987 http://purl.obolibrary.org/obo/CLO_0007706 denotes M + H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T32179 23-36 Chemical denotes 1H-indol-2-yl http://purl.obolibrary.org/obo/CHEBI_51611
T74653 23-25 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T55010 37-45 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T24783 49-55 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T80040 56-61 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T435 65-68 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T436 98-103 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T67469 202-209 Chemical denotes methoxy http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520
T6716 210-223 Chemical denotes 1H-indol-2-yl http://purl.obolibrary.org/obo/CHEBI_51611
T440 210-212 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T27269 224-232 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T71057 236-242 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T37832 243-248 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T445 252-255 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T3496 285-298 Chemical denotes butyl acetate http://purl.obolibrary.org/obo/CHEBI_31328
T29662 285-290 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T52526 291-298 Chemical denotes acetate http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622
T76420 336-340 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T6362 444-454 Chemical denotes chloroform http://purl.obolibrary.org/obo/CHEBI_35255
T92016 455-468 Chemical denotes ethyl acetate http://purl.obolibrary.org/obo/CHEBI_27750
T453 455-460 Chemical denotes ethyl http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801
T2923 461-468 Chemical denotes acetate http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622
T38070 532-534 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T80306 540-544 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T43354 571-573 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T70821 595-597 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T19448 619-621 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T15280 652-654 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T463 676-678 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T87734 700-702 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T7633 724-726 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T55385 748-750 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T21941 773-775 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T6127 798-800 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T469 854-856 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T1610 945-947 Chemical denotes MS http://purl.obolibrary.org/obo/CHEBI_73613

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T384 0-129 Sentence denotes (3S)-3-({N-[(4-Methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2,6-Difluorobenzoate (23)
T385 130-409 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 2,6-difluorobenzoic acid and making noncritical variations provided a crude brown oily solid.
T386 410-531 Sentence denotes This material was triturated with chloroform/ethyl acetate to afford 180 mg (75%) of the title compound as a white solid.
T387 532-1054 Sentence denotes 1H NMR (DMSO-d6) δ 11.65 (d, J = 2 Hz, 1H), 8.68 (d, J = 8 Hz, 1H), 8.54 (d, J = 8 Hz, 1H), 7.73–7.65 (m, 2H), 7.36 (s, 1H), 7.27 (t, J = 8 Hz, 1H), 7.08 (t, J = 8 Hz, 1H), 6.99 (d, J = 8 Hz, 1H), 6.49 (d, J = 8 Hz, 1H), 5.19 (d, J = 16 Hz, 1H), 5.14 (d, J = 16 Hz, 1H), 4.48 (m, 2H), 3.87 (s, 3H), 3.11 (m, 2H), 2.32 (m, 1H), 2.11–1.91 (m, 2H), 1.81–1.56 (m, 5H), 0.94 (d, J = 4 Hz, 3H), 0.89 (d, J = 4 Hz, 3H); MS (ESI+) for C31H34F2N4O7m/z 613.2 (M + H)+; HRMS (ESI+) calcd for C31H34F2N4O7+H1 613.2469, found 613.2476.

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1334 316-340 Chemical denotes 2,6-difluorobenzoic acid MESH:C077004
1335 444-454 Chemical denotes chloroform MESH:D002725
1336 455-468 Chemical denotes ethyl acetate MESH:C007650
1337 991-995 Disease denotes HRMS