HRID1518379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7902

Dimethylaminoethanol

C4H11NO

HCID819821

2-Chloro-5-hydroxypyridine

C5H4ClNO

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

PRODUCTS

生成物

结构：CN(C)CCOc1ccc(-c2ccc(OCCCc3sc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cc2)nc1

HCID46836800

未命名化合物

PROCEDURE

实验过程

Compound 90 was prepared in a similar manner to the synthesis of compound 35A by substituting compound 34C and compound 31F with 2-(dimethylamino)ethanol and 6-chloropyridin-3-ol, respectively.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85577796d0ff43ffb4aa990460495044
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(OCC3[CH:25]=[CH:24][C:23]([C:26]4[S:30][C:29]([N:31]5[CH2:40][CH2:39][C:38]6[C:33](=[C:34]([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)COCC[Si](C)(C)C)[CH:35]=[CH:36][CH:37]=6)[CH2:32]5)=[N:28][C:27]=4[C:61]([O:63]CC)=[O:62])=CC=3)=CC=2)C=1C#N.NC1N(C(OC(C)(C)C)=O)[N:74]=[C:73]([C:83]2[CH:88]=[CH:87][C:86]([OH:89])=[CH:85][CH:84]=2)[C:72]=1[C:90]#N.[CH3:92][N:93]([CH3:97])[CH2:94][CH2:95][OH:96].Cl[C:99]1N=CC(O)=C[CH:100]=1>>[S:52]1[C:53]2[CH:59]=[CH:58][CH:57]=[CH:56][C:54]=2[N:55]=[C:51]1[NH:42][C:41]([C:34]1[CH:35]=[CH:36][CH:37]=[C:38]2[C:33]=1[CH2:32][N:31]([C:29]1[S:30][C:26]([CH2:23][CH2:24][CH2:25][O:89][C:86]3[CH:85]=[CH:84][C:83]([C:73]4[CH:72]=[CH:90][C:100]([O:96][CH2:95][CH2:94][N:93]([CH3:97])[CH3:92])=[CH:99][N:74]=4)=[CH:88][CH:87]=3)=[C:27]([C:61]([OH:63])=[O:62])[N:28]=1)[CH2:40][CH2:39]2)=[O:60]