HRID1518391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1-c1ccc(COc2ccc(-c3nn(C(=O)OC(C)(C)C)c(N)c3C#N)cc2)cc1

HCID59447596

未命名化合物

HCID136027723

未命名化合物

结构：CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c(C#N)c1N

HCID136027725

未命名化合物

$结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)/N=c4\sc5ccccc5n4COCC[Si](C)(C)C)c3C2)ccc1CCCO$

HCID178450838

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1ccc(-c2ccc(OCCCc3ccc(N4CCc5cccc(C(=O)N(COCC[Si](C)(C)C)c6nc7ccccc7s6)c5C4)nc3C(=O)OC(C)(C)C)cc2)nc1

HCID59447458

未命名化合物

PROCEDURE

实验过程

Compound 95A was prepared in a similar manner to the synthesis of compound 35A by substituting compound 34D and compound 31F with compound 94F and compound 90B, respectively: ESI (+)LC/MS: 915 (M+H2O—NH4)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-437c1ffa99f94719a88e0097ff52951e
来源数据集: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08232273B2
来源说明: uspto-grants-2012_07

反应 SMILES

NC1N(C(OC(C)(C)C)=O)N=C(C2C=CC(OCC3C=CC(C4SC(N5CCC6C(=C([C:41](=[O:60])[N:42]([C:51]7[S:52][C:53]8[CH:59]=[CH:58][CH:57]=[CH:56][C:54]=8[N:55]=7)[CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:50])([CH3:49])[CH3:48])C=CC=6)C5)=NC=4C(OCC)=O)=CC=3)=CC=2)C=1C#N.NC1N(C(OC(C)(C)C)=O)N=C(C2C=CC(O)=CC=2)C=1C#N.[OH:92][CH2:93][CH2:94][CH2:95][C:96]1[C:97]([C:132]([O:134][C:135]([CH3:138])([CH3:137])[CH3:136])=[O:133])=[N:98][C:99]([N:102]2[CH2:111][CH2:110][C:109]3[C:104](=[C:105](C(=O)/N=C4\SC5C=CC=CC=5N\4COCC[Si](C)(C)C)[CH:106]=[CH:107][CH:108]=3)[CH2:103]2)=[CH:100][CH:101]=1.[CH3:139][N:140]([CH3:157])[CH2:141][CH2:142][O:143][C:144]1[CH:145]=[CH:146][C:147]([C:150]2[CH:155]=[CH:154][C:153](O)=[CH:152][CH:151]=2)=[N:148][CH:149]=1>>[S:52]1[C:53]2[CH:59]=[CH:58][CH:57]=[CH:56][C:54]=2[N:55]=[C:51]1[N:42]([CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:50])([CH3:48])[CH3:49])[C:41]([C:105]1[CH:106]=[CH:107][CH:108]=[C:109]2[C:104]=1[CH2:103][N:102]([C:99]1[N:98]=[C:97]([C:132]([O:134][C:135]([CH3:138])([CH3:137])[CH3:136])=[O:133])[C:96]([CH2:95][CH2:94][CH2:93][O:92][C:153]3[CH:152]=[CH:151][C:150]([C:147]4[CH:146]=[CH:145][C:144]([O:143][CH2:142][CH2:141][N:140]([CH3:157])[CH3:139])=[CH:149][N:148]=4)=[CH:155][CH:154]=3)=[CH:101][CH:100]=1)[CH2:111][CH2:110]2)=[O:60]