HRID1518390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11622486

4-(4-Methyl-1-piperazinyl)phenol

C11H16N2O

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

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：CN1CCN(c2ccc(OCCCc3ccc(N4CCc5cccc(C(=O)N(COCC[Si](C)(C)C)c6nc7ccccc7s6)c5C4)nc3C(=O)OC(C)(C)C)cc2)CC1

HCID59447636

未命名化合物

PROCEDURE

实验过程

The title compound 94G was prepared in a similar manner to the synthesis of compound 35A by substituting compound 34D and compound 31F with compound 94F and compound 82A, respectively: ESI (+)LC/MS: 849 (M+H2O—NH4)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4081dbce29a242c78e929f79505c22b8
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(=O)N(C7SC8C=CC=CC=8N=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:112](=[O:131])/[N:113]=[C:114]4\[S:115][C:116]5[CH:130]=[CH:129][CH:128]=[CH:127][C:117]=5[N:118]\4COCC[Si](C)(C)C)[CH:106]=[CH:107][CH:108]=3)[CH2:103]2)=[CH:100][CH:101]=1.[CH3:139][N:140]1[CH2:145][CH2:144][N:143]([C:146]2[CH:151]=[CH:150][C:149](O)=[CH:148][CH:147]=2)[CH2:142][CH2:141]1>>[S:115]1[C:116]2[CH:130]=[CH:129][CH:128]=[CH:127][C:117]=2[N:118]=[C:114]1[N:113]([CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:50])([CH3:49])[CH3:48])[C:112]([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]([CH3:137])([CH3:136])[CH3:138])=[O:133])[C:96]([CH2:95][CH2:94][CH2:93][O:92][C:149]3[CH:150]=[CH:151][C:146]([N:143]4[CH2:144][CH2:145][N:140]([CH3:139])[CH2:141][CH2:142]4)=[CH:147][CH:148]=3)=[CH:101][CH:100]=1)[CH2:111][CH2:110]2)=[O:131]