HRID1518307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2

HCID46837054

未命名化合物

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(C(=O)OC(C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCOc1ccc(-c2nn(C(=O)OC(C)(C)C)c(N)c2C#N)cc1

HCID86644323

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(-c2ccc(OCC#Cc3sc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cc2)n[nH]c1N

HCID178509392

未命名化合物

PROCEDURE

实验过程

The title compound 40 was prepared in a similar manner to the synthesis of compound 34 by substituting compound 34D with compound 40A: 1H NMR (DMSO-d6): δ 8.03 (d, J=7.98 Hz, 1H), 7.60-7.80 (m, 5H), 7.34-7.50 (m, 6H), 7.32-7.49 (m, 6H), 7.12 (d, J=8.9 Hz, 2H), 5.10 (s, 2H), 4.91 (s, 2H), 3.73-3.75 (m, 2H), 3.05-3.07 (m, 2H). MS (ESI(+)): m/z 673 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f506c34fb8234bfcad3fa958619bf1a9
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

S1C2C=CC=CC=2N=C1NC(C1C=CC=C2C=1CN(C1SC(C3C=CC(CO)=CC=3)=C(C(O)=O)N=1)CC2)=O.[NH2:39][C:40]1[N:44](C(OC(C)(C)C)=O)[N:43]=[C:42]([C:52]2[CH:100]=[CH:99][C:55]([O:56][CH2:57][C:58]#[C:59][C:60]3[S:64][C:63]([N:65]4[CH2:74][CH2:73][C:72]5[C:67](=[C:68]([C:75](=[O:93])[N:76]([C:84]6[S:85][C:86]7[CH:92]=[CH:91][CH:90]=[CH:89][C:87]=7[N:88]=6)C(OC(C)(C)C)=O)[CH:69]=[CH:70][CH:71]=5)[CH2:66]4)=[N:62][C:61]=3[C:94]([O:96]CC)=[O:95])=[CH:54][CH:53]=2)[C:41]=1[C:101]#[N:102]>>[NH2:39][C:40]1[NH:44][N:43]=[C:42]([C:52]2[CH:53]=[CH:54][C:55]([O:56][CH2:57][C:58]#[C:59][C:60]3[S:64][C:63]([N:65]4[CH2:74][CH2:73][C:72]5[C:67](=[C:68]([C:75](=[O:93])[NH:76][C:84]6[S:85][C:86]7[CH:92]=[CH:91][CH:90]=[CH:89][C:87]=7[N:88]=6)[CH:69]=[CH:70][CH:71]=5)[CH2:66]4)=[N:62][C:61]=3[C:94]([OH:96])=[O:95])=[CH:99][CH:100]=2)[C:41]=1[C:101]#[N:102]