HRID874898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1cccc2nc(C(C)Nc3ncnc4[nH]cnc34)n(-c3cccc(OCCN(C)C)c3)c(=O)c12

HCID178423956

未命名化合物

反应SMILES：Cc1cccc2nc(C(C)Nc3nc(N)nc4[nH]cnc34)n(-c3cccc(C#N)c3)c(=O)c12

HCID178423958

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cccc2nc(C(C)Nc3nc(N)nc4[nH]cnc34)n(-c3cccc(N4CCOCC4)c3)c(=O)c12

HCID178423959

未命名化合物

PROCEDURE

实验过程

Compound 158 was prepared in accordance with the procedure described for compound 129, but compound 133 was used in place of compound 126. m/z=498 (M+H). The structure of compound 153 is shown below.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1bf65199d15643e8990575fb551a0577
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08980901B2
来源说明: uspto-grants-2015_03

反应SMILES

C[N:2]([CH3:36])[CH2:3][CH2:4][O:5][C:6]1C=C(N2C(=O)C3C(=CC=CC=3C)N=C2C(NC2N=CN=C3C=2N=CN3)C)C=CC=1.[NH2:37][C:38]1[N:46]=[C:45]2[C:41]([N:42]=[CH:43][NH:44]2)=[C:40]([NH:47][CH:48]([C:50]2[N:59]([C:60]3[CH:61]=[C:62]([CH:65]=[CH:66][CH:67]=3)C#N)[C:58](=[O:68])[C:57]3[C:52](=[CH:53][CH:54]=[CH:55][C:56]=3[CH3:69])[N:51]=2)[CH3:49])[N:39]=1>>[NH2:37][C:38]1[N:46]=[C:45]2[C:41]([N:42]=[CH:43][NH:44]2)=[C:40]([NH:47][CH:48]([C:50]2[N:59]([C:60]3[CH:67]=[CH:66][CH:65]=[C:62]([N:2]4[CH2:3][CH2:4][O:5][CH2:6][CH2:36]4)[CH:61]=3)[C:58](=[O:68])[C:57]3[C:52](=[CH:53][CH:54]=[CH:55][C:56]=3[CH3:69])[N:51]=2)[CH3:49])[N:39]=1