HRID1518300

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)sc1-c1ccc(COc2cccc(-c3nn(C(=O)OC(C)(C)C)c(N)c3C#N)c2)cc1

HCID86761596

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(-c2cccc(OCc3ccc(-c4sc(N5CCc6cccc(C(=O)Nc7nc8ccccc8s7)c6C5)nc4C(=O)O)cc3)c2)n[nH]c1N

HCID178509381

未命名化合物

PROCEDURE

实验过程

The title compound 37 was prepared in a similar manner to the synthesis of compound 34 by substituting compound 34D with compound 37A: 1H NMR (DMSO-d6): δ 8.02 (d, J=7.36 Hz, 1H), 7.78 (d, J=7.98 Hz, 1H), 7.33-7.49 (m, 11H), 7.05-7.08 (m, 1H), 5.15 (s, 2H), 4.91 (s, 2H), 3.78 (t, J=6.14 Hz, 2H), 3.08 (t, J=5.83 Hz, 2H). MS (ESI(+)): m/z 725 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10927861196c4772b2d6f639b0aed6ae
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:103]=[CH:104][CH:105]=2)[O:55][CH2:56][C:57]2[CH:62]=[CH:61][C:60]([C:63]3[S:67][C:66]([N:68]4[CH2:77][CH2:76][C:75]5[C:70](=[C:71]([C:78](=[O:97])[N:79]([C:88]6[S:89][C:90]7[CH:96]=[CH:95][CH:94]=[CH:93][C:91]=7[N:92]=6)COCC[Si](C)(C)C)[CH:72]=[CH:73][CH:74]=5)[CH2:69]4)=[N:65][C:64]=3[C:98]([O:100]CC)=[O:99])=[CH:59][CH:58]=2)[C:41]=1[C:106]#[N:107]>>[NH2:39][C:40]1[NH:44][N:43]=[C:42]([C:52]2[CH:53]=[C:54]([CH:103]=[CH:104][CH:105]=2)[O:55][CH2:56][C:57]2[CH:58]=[CH:59][C:60]([C:63]3[S:67][C:66]([N:68]4[CH2:77][CH2:76][C:75]5[C:70](=[C:71]([C:78](=[O:97])[NH:79][C:88]6[S:89][C:90]7[CH:96]=[CH:95][CH:94]=[CH:93][C:91]=7[N:92]=6)[CH:72]=[CH:73][CH:74]=5)[CH2:69]4)=[N:65][C:64]=3[C:98]([OH:100])=[O:99])=[CH:61][CH:62]=2)[C:41]=1[C:106]#[N:107]