HRID1518403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)ccc1CCCOc1ccnc(Cl)c1

HCID59447494

未命名化合物

PROCEDURE

实验过程

Compound 109A was prepared as a TFA salt in a similar manner to the synthesis of compound 51 by substituting compound 51A and compound 2C with compound 96D and 2-chloropyridin-4-ol, respectively: APCI (+)/LC/MS: 657 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34ad08d7762243acb6cc45c3d7f6c0f7
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

C(O)(C(F)(F)F)=O.S1C2C=CC=CC=2N=C1NC(C1C=CC=C2C=1CN(C1SC(CCCOC3C=CC(C4C(C#N)=CSC=4)=CC=3)=C(C(O)=O)N=1)CC2)=O.S1C2C=CC=CC=2N=C1NC(C1C=CC=C2C=1CN(C1SC(CCCI)=C(C(OCC)=O)N=1)CC2)=O.[S:91]1[C:95]2[CH:96]=[CH:97][CH:98]=[CH:99][C:94]=2[N:93]=[C:92]1[NH:100][C:101]([C:103]1[CH:104]=[CH:105][CH:106]=[C:107]2[C:112]=1[CH2:111][N:110]([C:113]1[N:118]=[C:117]([C:119]([O:121][C:122]([CH3:125])([CH3:124])[CH3:123])=[O:120])[C:116]([CH2:126][CH2:127][CH2:128]I)=[CH:115][CH:114]=1)[CH2:109][CH2:108]2)=[O:102].[Cl:130][C:131]1[CH:136]=[C:135]([OH:137])[CH:134]=[CH:133][N:132]=1>>[S:91]1[C:95]2[CH:96]=[CH:97][CH:98]=[CH:99][C:94]=2[N:93]=[C:92]1[NH:100][C:101]([C:103]1[CH:104]=[CH:105][CH:106]=[C:107]2[C:112]=1[CH2:111][N:110]([C:113]1[N:118]=[C:117]([C:119]([O:121][C:122]([CH3:125])([CH3:124])[CH3:123])=[O:120])[C:116]([CH2:126][CH2:127][CH2:128][O:137][C:135]3[CH:134]=[CH:133][N:132]=[C:131]([Cl:130])[CH:136]=3)=[CH:115][CH:114]=1)[CH2:109][CH2:108]2)=[O:102]