PMC:7291971 / 64532-65898
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1296 | 50-69 | CHEBI:53233;CHEBI:53233 | denotes | dimethyl-tetrahydro |
T1297 | 70-72 | CHEBI:53233;CHEBI:53233 | denotes | 2H |
T1298 | 77-80 | CHEBI:53233;CHEBI:53233 | denotes | [3, |
T1299 | 81-82 | CHEBI:53233;CHEBI:53233 | denotes | - |
T1300 | 86-87 | CHEBI:53233;CHEBI:53233 | denotes | 1 |
T1301 | 87-89 | CHEBI:52029;CHEBI:52029 | denotes | ,3 |
T1302 | 89-102 | CHEBI:53233;CHEBI:53233 | denotes | ]dioxol-4-yl] |
T1303 | 159-160 | CHEBI:53233;CHEBI:53233 | denotes | - |
T1304 | 160-178 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T1305 | 179-182 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T1306 | 183-187 | CHEBI:53233;CHEBI:53233 | denotes | -5-{ |
T1307 | 188-194 | CHEBI:53233;CHEBI:53233 | denotes | (tert- |
T1308 | 194-212 | CHEBI:8502;CHEBI:8502 | denotes | butyldimethylsilyl |
T1309 | 212-213 | CHEBI:53233;CHEBI:53233 | denotes | ) |
T1310 | 213-216 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T1311 | 217-223 | CHEBI:16625;CHEBI:16625 | denotes | methyl |
T1312 | 224-236 | CHEBI:53233;CHEBI:53233 | denotes | oxolan-3-yl] |
T1313 | 236-239 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T1314 | 246-249 | CHEBI:86228;CHEBI:86228 | denotes | -4- |
T1315 | 249-256 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T1316 | 256-259 | CHEBI:86228;CHEBI:86228 | denotes | -2- |
T1317 | 259-271 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T1318 | 271-274 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T1319 | 274-285 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T1320 | 416-420 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T1321 | 444-449 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T1322 | 1009-1012 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T39424 | 50-69 | CHEBI:53233;CHEBI:53233 | denotes | dimethyl-tetrahydro |
T79131 | 70-72 | CHEBI:53233;CHEBI:53233 | denotes | 2H |
T56876 | 77-80 | CHEBI:53233;CHEBI:53233 | denotes | [3, |
T1840 | 81-82 | CHEBI:53233;CHEBI:53233 | denotes | - |
T79993 | 86-87 | CHEBI:53233;CHEBI:53233 | denotes | 1 |
T59259 | 87-89 | CHEBI:52029;CHEBI:52029 | denotes | ,3 |
T58344 | 89-102 | CHEBI:53233;CHEBI:53233 | denotes | ]dioxol-4-yl] |
T56893 | 159-160 | CHEBI:53233;CHEBI:53233 | denotes | - |
T73747 | 160-178 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T18438 | 179-182 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T54841 | 183-187 | CHEBI:53233;CHEBI:53233 | denotes | -5-{ |
T97077 | 188-194 | CHEBI:53233;CHEBI:53233 | denotes | (tert- |
T68234 | 194-212 | CHEBI:8502;CHEBI:8502 | denotes | butyldimethylsilyl |
T94264 | 212-213 | CHEBI:53233;CHEBI:53233 | denotes | ) |
T45887 | 213-216 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T38709 | 217-223 | CHEBI:16625;CHEBI:16625 | denotes | methyl |
T31272 | 224-236 | CHEBI:53233;CHEBI:53233 | denotes | oxolan-3-yl] |
T72011 | 236-239 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T23440 | 246-249 | CHEBI:86228;CHEBI:86228 | denotes | -4- |
T27327 | 249-256 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T65448 | 256-259 | CHEBI:86228;CHEBI:86228 | denotes | -2- |
T41958 | 259-271 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T14164 | 271-274 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T27301 | 274-285 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T19888 | 416-420 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T53371 | 444-449 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T67172 | 1009-1012 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
1178 | 416-420 | Chemical | denotes | MeOH |
1179 | 421-424 | Chemical | denotes | DCM |
1180 | 983-986 | Chemical | denotes | 18H |
1181 | 1003-1006 | Chemical | denotes | 12H |
1182 | 1313-1329 | Chemical | denotes | C47H67N12O12SSi2 |
1183 | 1286-1290 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T372 | 308-309 | http://purl.obolibrary.org/obo/CLO_0001021 | denotes | B |
T373 | 360-362 | http://purl.obolibrary.org/obo/CLO_0001407 | denotes | 52 |
T374 | 381-382 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T375 | 936-939 | http://purl.obolibrary.org/obo/CLO_0050298 | denotes | 10H |
T376 | 1331-1334 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T948 | 23-44 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T70230 | 25-30 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T72752 | 50-58 | Chemical | denotes | dimethyl | http://purl.obolibrary.org/obo/CHEBI_33601|http://purl.obolibrary.org/obo/CHEBI_42266 |
T89635 | 102-108 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T42604 | 128-149 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T95901 | 130-135 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T11596 | 179-182 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T55585 | 213-216 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T24974 | 217-223 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T69310 | 236-239 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T42807 | 240-245 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T79697 | 249-256 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T87828 | 259-271 | Chemical | denotes | nitrobenzene | http://purl.obolibrary.org/obo/CHEBI_27798 |
T24304 | 274-285 | Chemical | denotes | sulfonamide | http://purl.obolibrary.org/obo/CHEBI_35358 |
T66918 | 401-403 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T68778 | 416-420 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T5138 | 421-424 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T78755 | 427-429 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T62119 | 444-449 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
T67417 | 464-466 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T57690 | 479-481 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T97608 | 493-495 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T78389 | 507-509 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T29195 | 533-535 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T73506 | 559-561 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T53566 | 598-600 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T76589 | 624-626 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T80847 | 682-684 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T427 | 721-723 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T40294 | 760-762 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T9376 | 799-801 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T430 | 838-840 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91450 | 877-879 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T94985 | 917-919 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T45648 | 1027-1032 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T25 | 421-424 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T447 | 0-290 | Sentence | denotes | 4.1.26 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)-4-methoxy-2-nitrobenzene-1-sulfonamide (30) |
T448 | 291-400 | Sentence | denotes | Following method B with 26 (161 mg, 0.31 mmol, 1.00 eq), 30 (166 mg, 52%) was obtained as a pale white solid. |
T449 | 401-426 | Sentence | denotes | Rf 0.67 (10:90 MeOH/DCM). |
T450 | 427-1008 | Sentence | denotes | 1H NMR (500 MHz, CDCl3)) δ 8.286 (s, 1H), 8.292 (s, 1H), 8.14 (s, 1H), 7.82 (s, 1H), 7.66 (d, J = 8.9 Hz, 1H), 6.92 (d, J = 2.6 Hz, 1H), 6.74 (dd, J = 9.0 Hz, J = 2.6 Hz, 1H), 6.01 (d, J = 3.2 Hz, 1H), 5.97–5.88 (m, 5H), 5.31 (dd, J = 6.5 Hz, J = 2.1 Hz, 1H), 4.99 (dd, J = 6.4 Hz, J = 3.7 Hz, 1H), 4.52 (dd, J = 6.1 Hz, J = 4.6 Hz, 1H), 4.43 (dt, J = 8.4 Hz, J = 4.2 Hz, 1H), 4.22 (dd, J = 4.7 Hz, J = 3.2 Hz, 1H), 4.06 (dt, J = 6.1 Hz, J = 3.1 Hz, 1H), 3.97 (dd, J = 11.5 Hz, J = 3.5 Hz, 1H), 3.86–3.49 (m, 10H), 1.55 (s, 3H), 1.33 (s, 3H), 0.90 (br. s, 18H), 0.11–0.05 (m, 12H). |
T451 | 1009-1285 | Sentence | denotes | 13C NMR (125 MHz, CDCl3) δ 162.8, 155.7, 155.5, 153.2, 152.9, 149.6, 149.1, 149.0, 140.2, 139.7, 133.0, 125.0, 120.4, 120.3, 116.2, 114.7, 109.9, 90.6, 87.4, 84.5, 84.5 (2C), 84.3, 82.6, 82.5, 69.9, 69.6, 61.6, 50.2, 47.2, 27.3, 26.2, 25.9, 25.4, 18.6, 18.2, −4.4, −4.7, −5.3. |
T452 | 1286-1337 | Sentence | denotes | HRMS (ESI+): m/z calcd for C47H67N12O12SSi2 [M+H]+: |
T453 | 1338-1355 | Sentence | denotes | 1043.4261, found: |
T454 | 1356-1366 | Sentence | denotes | 1043.4265. |