HRID1518298

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(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCOc1cccc(-c2nn(C(=O)OC(C)(C)C)c(N)c2C#N)c1

HCID86761595

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(-c2cccc(OCC#Cc3sc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)c2)n[nH]c1N

HCID178509383

未命名化合物

PROCEDURE

实验过程

Title compound 36 was prepared in a similar manner to the synthesis of compound 34 by substituting compound 34D with compound 36C in step 5 of Example 34: 1H NMR (DMSO-d6): δ 8.03 (d, J=7.93 Hz, 1H), 7.79 (d, J=7.93 Hz, 1H), 7.66-7.68 (m, 1H), 7.35-7.48 (m, 8H), 5.08 (s, 2H), 4.91 (s, 2H), 3.70-3.73 (m, 2H), 3.46-3.49 (m, 2H), 3.05-3.07 (m, 2H). MS (ESI(+)): m/z 670 (M−H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c014114f4dda4c0a97b859b9cb231f9d
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:53]=[C:54]([CH:99]=[CH:100][CH:101]=2)[O:55][CH2:56][C:57]#[C:58][C:59]2[S:63][C:62]([N:64]3[CH2:73][CH2:72][C:71]4[C:66](=[C:67]([C:74](=[O:93])[N:75]([C:84]5[S:85][C:86]6[CH:92]=[CH:91][CH:90]=[CH:89][C:87]=6[N:88]=5)COCC[Si](C)(C)C)[CH:68]=[CH:69][CH:70]=4)[CH2:65]3)=[N:61][C:60]=2[C:94]([O:96]CC)=[O:95])[C:41]=1[C:102]#[N:103]>>[NH2:39][C:40]1[NH:44][N:43]=[C:42]([C:52]2[CH:53]=[C:54]([CH:99]=[CH:100][CH:101]=2)[O:55][CH2:56][C:57]#[C:58][C:59]2[S:63][C:62]([N:64]3[CH2:73][CH2:72][C:71]4[C:66](=[C:67]([C:74](=[O:93])[NH:75][C:84]5[S:85][C:86]6[CH:92]=[CH:91][CH:90]=[CH:89][C:87]=6[N:88]=5)[CH:68]=[CH:69][CH:70]=4)[CH2:65]3)=[N:61][C:60]=2[C:94]([OH:96])=[O:95])[C:41]=1[C:102]#[N:103]