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PMC:7571312 / 52367-53397 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T477 242-243 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T478 887-889 http://purl.obolibrary.org/obo/CLO_0007874 denotes MS
T479 922-927 http://purl.obolibrary.org/obo/CLO_0007706 denotes M + H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T98566 72-79 Chemical denotes methoxy http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520
T62963 80-93 Chemical denotes 1H-indol-2-yl http://purl.obolibrary.org/obo/CHEBI_51611
T26567 80-82 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T93538 94-102 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T44363 106-112 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T70419 113-118 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T88170 122-125 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T54249 155-168 Chemical denotes butyl acetate http://purl.obolibrary.org/obo/CHEBI_31328
T145 155-160 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T146 161-168 Chemical denotes acetate http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622
T99810 186-198 Chemical denotes benzoic acid http://purl.obolibrary.org/obo/CHEBI_30746
T149 194-198 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T150 318-326 Chemical denotes methanol http://purl.obolibrary.org/obo/CHEBI_17790
T37878 327-342 Chemical denotes dichloromethane http://purl.obolibrary.org/obo/CHEBI_15767
T45619 390-392 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T60775 407-411 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T14819 428-430 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T95058 454-456 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T32231 480-482 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T3493 525-527 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T15212 544-546 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T87949 558-560 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T68112 577-579 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T92861 603-605 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T35336 629-631 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T49210 648-650 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T36386 674-676 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T99513 688-690 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T47121 707-709 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T36911 773-775 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T168 792-794 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T40561 811-813 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T54496 887-889 Chemical denotes MS http://purl.obolibrary.org/obo/CHEBI_73613
T27523 963-966 Chemical denotes H2O http://purl.obolibrary.org/obo/CHEBI_15377

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T342 0-258 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 benzoic acid and making noncritical variations provided a crude product.
T343 259-389 Sentence denotes This material was purified by Biotage MPLC (25 M, 2.5–4.5% methanol/dichloromethane) to afford 183 mg (91%) of the title compound.
T344 390-930 Sentence denotes 1H NMR (400 MHz, DMSO-d6) δ 11.59 (s, 1H), 8.64 (d, J = 8.1 Hz, 1H), 8.46 (d, J = 7.6 Hz, 1H), 7.98 (d, J = 8.1 Hz, 2H), 7.91–7.95 (m, 1H), 7.66–7.71 (m, 1H), 7.66 (s, 1H), 7.52–7.57 (m, 1H), 7.37 (d, J = 1.8 Hz, 1H), 7.08 (t, J = 8.0 Hz, 1H), 6.96–7.02 (m, 1H), 6.49 (d, J = 7.6 Hz, 1H), 5.13 (s, 1H), 5.06–5.24 (m, 1H), 4.44–4.53 (m, 2H), 3.87 (s, 3H), 3.04–3.15 (m, 2H), 2.34 (m, 1H), 2.07–2.27 (m, 1H), 1.98–2.07 (m, 1H), 1.52–1.79 (m, 5H), 0.94 (d, J = 6.3 Hz, 3H), 0.89 (d, J = 6.3 Hz, 3H); MS (ESI+) for C31H36N4O7m/z 577.2 (M + H)+.
T345 931-995 Sentence denotes Anal. calcd for C31H36N4O7·1.04 H2O: C, 62.54; H, 6.45; N, 9.41.
T346 996-1030 Sentence denotes Found: C, 62.49; H, 6.54; N, 9.31.

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1199 186-198 Chemical denotes benzoic acid MESH:D019817
1200 318-326 Chemical denotes methanol MESH:D000432
1201 327-342 Chemical denotes dichloromethane MESH:D008752
1202 947-957 Chemical denotes C31H36N4O7
1203 963-966 Chemical denotes H2O
1204 968-969 Chemical denotes C MESH:D002244
1205 987-988 Chemical denotes N MESH:D009584
1206 1003-1004 Chemical denotes C MESH:D002244
1207 1022-1023 Chemical denotes N MESH:D009584