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PMC:7571312 / 59356-60364 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T497 254-255 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T498 301-303 http://purl.obolibrary.org/obo/CL_0000453 denotes LC
T499 358-361 http://purl.obolibrary.org/obo/CLO_0053001 denotes 114
T500 396-397 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T501 795-797 http://purl.obolibrary.org/obo/CLO_0007874 denotes MS
T502 833-838 http://purl.obolibrary.org/obo/CLO_0007706 denotes M + H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T80476 72-79 Chemical denotes methoxy http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520
T17330 80-93 Chemical denotes 1H-indol-2-yl http://purl.obolibrary.org/obo/CHEBI_51611
T64183 80-82 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T400 94-102 Chemical denotes carbonyl http://purl.obolibrary.org/obo/CHEBI_23019
T87264 106-112 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T76187 113-118 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T404 122-125 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T46479 155-168 Chemical denotes butyl acetate http://purl.obolibrary.org/obo/CHEBI_31328
T87387 155-160 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T76732 161-168 Chemical denotes acetate http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622
T409 186-210 Chemical denotes 2,6-dichlorobenzoic acid http://purl.obolibrary.org/obo/CHEBI_48623
T96547 206-210 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T6862 301-303 Chemical denotes LC http://purl.obolibrary.org/obo/CHEBI_73582
T2479 318-322 Chemical denotes SiO2 http://purl.obolibrary.org/obo/CHEBI_30563
T15870 327-335 Chemical denotes methanol http://purl.obolibrary.org/obo/CHEBI_17790
T44525 336-346 Chemical denotes chloroform http://purl.obolibrary.org/obo/CHEBI_35255
T64096 411-413 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T21640 419-423 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T417 450-452 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T76959 474-476 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T77251 498-500 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T24704 531-533 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T24047 555-557 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T21248 579-581 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T423 603-605 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T76092 628-630 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T96814 653-655 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T70327 709-711 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T56820 795-797 Chemical denotes MS http://purl.obolibrary.org/obo/CHEBI_73613
T20891 876-879 Chemical denotes H2O http://purl.obolibrary.org/obo/CHEBI_15377

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T378 0-270 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-dichlorobenzoic acid and making noncritical variations provided a crude product.
T379 271-410 Sentence denotes This material was purified by LC (20 g 230–400 SiO2, 3% methanol/chloroform) to afford 114 mg (65%) of the title compound as a white solid.
T380 411-847 Sentence denotes 1H NMR (DMSO-d6) δ 11.57 (d, J = 2 Hz, 1H), 8.62 (d, J = 8 Hz, 1H), 8.46 (d, J = 4 Hz, 1H), 7.65–7.53 (m, 4H), 7.36 (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 (d, J = 20 Hz, 1H), 5.15 (d, J = 20 Hz, 1H), 4.51 (m, 2H), 3.87 (s, 3H), 3.11 (m, 2H), 2.30 (m, 1H), 2.06 (m, 2H), 1.76–1.51 (m, 5H), 0.94 (d, J = 8 Hz, 3H), 0.89 (d, J = 8 Hz, 3H); MS (ESI+) for C31H34Cl2N4O7m/z 645.1 (M + H)+; Anal.
T381 848-908 Sentence denotes Calcd for C31H34Cl2N4O7·0.2 H2O: C, 57.36; H, 5.34; N, 8.63.
T382 909-943 Sentence denotes Found: C, 57.23; H, 5.55; N, 8.46.
T383 944-1008 Sentence denotes HRMS (ESI+) calcd for C31H34Cl2N4O7+H1 645.1877, found 645.1871.

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1318 186-210 Chemical denotes 2,6-dichlorobenzoic acid
1319 318-322 Chemical denotes SiO2
1320 327-335 Chemical denotes methanol MESH:D000432
1321 336-346 Chemical denotes chloroform MESH:D002725
1322 858-871 Chemical denotes C31H34Cl2N4O7
1323 876-879 Chemical denotes H2O
1324 881-882 Chemical denotes C MESH:D002244
1325 900-901 Chemical denotes N MESH:D009584
1326 916-917 Chemical denotes C MESH:D002244
1327 935-936 Chemical denotes N MESH:D009584
1328 966-979 Chemical denotes C31H34Cl2N4O7
1329 944-948 Disease denotes HRMS