PMC:7571312 / 60366-61420
Annnotations
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 |