HRID1518299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)n1nc(-c2cccc(O)c2)c(C#N)c1N

HCID59447530

未命名化合物

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

PRODUCTS

生成物

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1-c1ccc(COc2cccc(-c3nn(C(=O)OC(C)(C)C)c(N)c3C#N)c2)cc1

HCID86761596

未命名化合物

PROCEDURE

实验过程

The title compound 37A was prepared in a similar manner to the synthesis of compound 35A by substituting compound 31F with compound 36A as a mixture of two inseparable isomers: MS (ESI(+)): m/z 984 (M+H).

WORKUP

后处理

additionas a mixture of two inseparable isomers

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f04ad67aec94596a02710f657508966
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(O[CH2:19][C:20]3[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)[CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:50])([CH3:49])[CH3:48])[CH:35]=[CH:36][CH:37]=6)[CH2:32]5)=[N:28][C:27]=4[C:61]([O:63][CH2:64][CH3:65])=[O:62])=[CH:22][CH:21]=3)=CC=2)C=1C#N.[NH2:70][C:71]1[N:75]([C:76]([O:78][C:79]([CH3:82])([CH3:81])[CH3:80])=[O:77])[N:74]=[C:73]([C:83]2[CH:88]=[CH:87][CH:86]=[C:85]([OH:89])[CH:84]=2)[C:72]=1[C:90]#[N:91]>>[NH2:70][C:71]1[N:75]([C:76]([O:78][C:79]([CH3:82])([CH3:81])[CH3:80])=[O:77])[N:74]=[C:73]([C:83]2[CH:84]=[C:85]([CH:86]=[CH:87][CH:88]=2)[O:89][CH2:19][C:20]2[CH:21]=[CH:22][C:23]([C:26]3[S:30][C:29]([N:31]4[CH2:40][CH2:39][C:38]5[C:33](=[C:34]([C:41](=[O:60])[N:42]([C:51]6[S:52][C:53]7[CH:59]=[CH:58][CH:57]=[CH:56][C:54]=7[N:55]=6)[CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:48])([CH3:49])[CH3:50])[CH:35]=[CH:36][CH:37]=5)[CH2:32]4)=[N:28][C:27]=3[C:61]([O:63][CH2:64][CH3:65])=[O:62])=[CH:24][CH:25]=2)[C:72]=1[C:90]#[N:91]