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PMC:7291971 / 67183-68667 JSONTXT

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LitCovid-PMC-OGER-BB

Id Subject Object Predicate Lexical cue
T1350 50-69 CHEBI:53233;CHEBI:53233 denotes dimethyl-tetrahydro
T1351 70-72 CHEBI:53233;CHEBI:53233 denotes 2H
T1352 77-80 CHEBI:53233;CHEBI:53233 denotes [3,
T1353 81-82 CHEBI:53233;CHEBI:53233 denotes -
T1354 86-87 CHEBI:53233;CHEBI:53233 denotes 1
T1355 87-89 CHEBI:52029;CHEBI:52029 denotes ,3
T1356 89-102 CHEBI:53233;CHEBI:53233 denotes ]dioxol-4-yl]
T1357 159-160 CHEBI:53233;CHEBI:53233 denotes -
T1358 160-178 CHEBI:28714;CHEBI:28714 denotes butyldimethylsilyl
T1359 179-182 CHEBI:29354;CHEBI:29354 denotes oxy
T1360 183-187 CHEBI:53233;CHEBI:53233 denotes -5-{
T1361 188-194 CHEBI:53233;CHEBI:53233 denotes (tert-
T1362 194-212 CHEBI:8502;CHEBI:8502 denotes butyldimethylsilyl
T1363 212-213 CHEBI:53233;CHEBI:53233 denotes )
T1364 213-216 CHEBI:29354;CHEBI:29354 denotes oxy
T1365 217-223 CHEBI:16625;CHEBI:16625 denotes methyl
T1366 224-236 CHEBI:53233;CHEBI:53233 denotes oxolan-3-yl]
T1367 236-239 CHEBI:15533;CHEBI:15533 denotes oxy
T1368 247-249 CHEBI:86228;CHEBI:86228 denotes 2-
T1369 249-254 CHEBI:29785;CHEBI:29785 denotes nitro
T1370 254-257 CHEBI:86228;CHEBI:86228 denotes -4-
T1371 257-281 CHEBI:36810;CHEBI:36810 denotes (trifluoromethyl)benzene
T1372 281-282 CHEBI:34674;CHEBI:34674 denotes -
T1373 282-284 CHEBI:86228;CHEBI:86228 denotes 1-
T1374 284-295 CHEBI:35358;CHEBI:35358 denotes sulfonamide
T1375 424-428 CHEBI:32145;CHEBI:32145 denotes MeOH
T1376 452-457 CHEBI:30808;CHEBI:30808 denotes CDCl3
T1377 1046-1049 CHEBI:36927;CHEBI:36927 denotes 13C
T87470 50-69 CHEBI:53233;CHEBI:53233 denotes dimethyl-tetrahydro
T54024 70-72 CHEBI:53233;CHEBI:53233 denotes 2H
T23527 77-80 CHEBI:53233;CHEBI:53233 denotes [3,
T99559 81-82 CHEBI:53233;CHEBI:53233 denotes -
T85766 86-87 CHEBI:53233;CHEBI:53233 denotes 1
T61574 87-89 CHEBI:52029;CHEBI:52029 denotes ,3
T68998 89-102 CHEBI:53233;CHEBI:53233 denotes ]dioxol-4-yl]
T87014 159-160 CHEBI:53233;CHEBI:53233 denotes -
T85986 160-178 CHEBI:28714;CHEBI:28714 denotes butyldimethylsilyl
T75304 179-182 CHEBI:29354;CHEBI:29354 denotes oxy
T65071 183-187 CHEBI:53233;CHEBI:53233 denotes -5-{
T97121 188-194 CHEBI:53233;CHEBI:53233 denotes (tert-
T81982 194-212 CHEBI:8502;CHEBI:8502 denotes butyldimethylsilyl
T83644 212-213 CHEBI:53233;CHEBI:53233 denotes )
T41506 213-216 CHEBI:29354;CHEBI:29354 denotes oxy
T90520 217-223 CHEBI:16625;CHEBI:16625 denotes methyl
T17006 224-236 CHEBI:53233;CHEBI:53233 denotes oxolan-3-yl]
T97336 236-239 CHEBI:15533;CHEBI:15533 denotes oxy
T35230 247-249 CHEBI:86228;CHEBI:86228 denotes 2-
T15021 249-254 CHEBI:29785;CHEBI:29785 denotes nitro
T62058 254-257 CHEBI:86228;CHEBI:86228 denotes -4-
T6656 257-281 CHEBI:36810;CHEBI:36810 denotes (trifluoromethyl)benzene
T57151 281-282 CHEBI:34674;CHEBI:34674 denotes -
T62009 282-284 CHEBI:86228;CHEBI:86228 denotes 1-
T50319 284-295 CHEBI:35358;CHEBI:35358 denotes sulfonamide
T36780 424-428 CHEBI:32145;CHEBI:32145 denotes MeOH
T97406 452-457 CHEBI:30808;CHEBI:30808 denotes CDCl3
T29610 1046-1049 CHEBI:36927;CHEBI:36927 denotes 13C

LitCovid-PubTator

Id Subject Object Predicate Lexical cue
1204 424-428 Chemical denotes MeOH
1205 429-432 Chemical denotes DCM
1206 1429-1447 Chemical denotes C44H64N12O11SF3Si2
1207 1402-1406 Disease denotes HRMS

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T382 318-319 http://purl.obolibrary.org/obo/CLO_0001021 denotes B
T383 389-390 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T384 1449-1452 http://purl.obolibrary.org/obo/CLO_0007706 denotes M+H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T53880 23-44 Chemical denotes 6-amino-9H-purin-9-yl http://purl.obolibrary.org/obo/CHEBI_30756
T31743 25-30 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T86069 50-58 Chemical denotes dimethyl http://purl.obolibrary.org/obo/CHEBI_33601|http://purl.obolibrary.org/obo/CHEBI_42266
T475 102-108 Chemical denotes methyl http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309
T55020 128-149 Chemical denotes 6-amino-9H-purin-9-yl http://purl.obolibrary.org/obo/CHEBI_30756
T478 130-135 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T42445 179-182 Chemical denotes oxy http://purl.obolibrary.org/obo/CHEBI_29354
T480 213-216 Chemical denotes oxy http://purl.obolibrary.org/obo/CHEBI_29354
T78607 217-223 Chemical denotes methyl http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309
T58556 236-239 Chemical denotes oxy http://purl.obolibrary.org/obo/CHEBI_29354
T51085 240-245 Chemical denotes ethyl http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801
T27719 249-254 Chemical denotes nitro http://purl.obolibrary.org/obo/CHEBI_29785
T69034 257-281 Chemical denotes (trifluoromethyl)benzene http://purl.obolibrary.org/obo/CHEBI_36810
T488 258-273 Chemical denotes trifluoromethyl http://purl.obolibrary.org/obo/CHEBI_50127
T30906 274-281 Chemical denotes benzene http://purl.obolibrary.org/obo/CHEBI_16716
T19274 284-295 Chemical denotes sulfonamide http://purl.obolibrary.org/obo/CHEBI_35358
T85507 409-411 Chemical denotes Rf http://purl.obolibrary.org/obo/CHEBI_33346
T35836 424-428 Chemical denotes MeOH http://purl.obolibrary.org/obo/CHEBI_17790
T17098 429-432 Chemical denotes DCM http://purl.obolibrary.org/obo/CHEBI_15767
T10869 435-437 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T7681 452-457 Chemical denotes CDCl3 http://purl.obolibrary.org/obo/CHEBI_85365
T18694 470-472 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T18393 484-486 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T34872 498-500 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T85647 524-526 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T98194 550-552 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T31716 564-566 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T35527 603-605 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T9110 629-631 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T47865 655-657 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T13260 712-714 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T74661 751-753 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T507 790-792 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T23051 829-831 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T509 868-870 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T510 965-967 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T511 1064-1069 Chemical denotes CDCl3 http://purl.obolibrary.org/obo/CHEBI_85365

LitCovid-PD-HP

Id Subject Object Predicate Lexical cue hp_id
T27 429-432 Phenotype denotes DCM http://purl.obolibrary.org/obo/HP_0001644

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T463 0-300 Sentence denotes 4.1.28 N-{[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d] [1,3]dioxol-4-yl]methyl}-N-(2-{[(2R,5R)-2-(6-amino-9H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-3-yl]oxy}ethyl)-2-nitro-4-(trifluoromethyl)benzene-1-sulfonamide (32)
T464 301-408 Sentence denotes Following method B with 28 (77 mg, 0.14 mmol, 1.00 eq), 32 (68 mg, 46%) was obtained as a pale white solid.
T465 409-434 Sentence denotes Rf 0.47 (10:90 MeOH/DCM).
T466 435-1045 Sentence denotes 1H NMR (500 MHz, CDCl3) δ 8.33 (s, 1H), 8.30 (s, 1H), 8.15 (s, 1H), 7.85 (d, J = 8.2 Hz, 1H), 7.77 (d, J = 1.7 Hz, 1H), 7.76 (s, 1H), 7.54 (dd, J = 8.4 Hz, J = 1.8 Hz, 1H), 5.97 (d, J = 2.8 Hz, 1H), 5.93 (d, J = 1.9 Hz, 1H), 5.74 (br. s, 4H), 5.33 (dd, J = 6.4 Hz, J = 2.0 Hz, 1H), 5.01 (dd, J = 6.4 Hz, J = 3.8 Hz, 1H), 4.50 (dd, J = 6.4 Hz, J = 4.6 Hz, 1H), 4.43 (dt, J = 8.3 Hz, J = 4.0 Hz, 1H), 4.18 (dd, J = 4.7 Hz, J = 2.8 Hz, 1H), 4.01–3.96 (m, 2H), 3.94–3.78 (m, 4H), 3.77–3.66 (m, 2H), 3.56 (dt, J = 15.5 Hz, J = 5.1 Hz, 1H), 1.55 (s, 3H), 1.34 (s, 3H), 0.91 (s, 9H), 0.89 (s, 9H), 0.13–0.02 (m, 12H).
T467 1046-1401 Sentence denotes 13C NMR (125 MHz, CDCl3) δ 155.6, 155.4, 153.3, 153.0, 149.5, 149.1, 147.9, 140.2, 139.5, 137.4, 135.6, 135.3, 135.0, 134.7, 132.0, 128.3, 128.3, 125.3, 123.2, 121.0, 118.8, 121.7, 121.6, 133.0, 120.4, 120.3, 116.2, 114.8, 109.9, 90.6, 87.5, 84.7, 84.3, 84.1, 82.9, 82.6, 69.6, 69.4, 61.3, 50.2, 47.4, 27.2, 26.2, 25.9, 25.4, 18.6, 18.2, −4.4, −4.8, −5.3.
T468 1402-1455 Sentence denotes HRMS (ESI+): m/z calcd for C44H64N12O11SF3Si2 [M+H]+:
T469 1456-1473 Sentence denotes 1081.4029, found:
T470 1474-1484 Sentence denotes 1081.4034.