HRID1518398

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：CN1CCC(Nc2ccc(OCCCc3ccc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)OC(C)(C)C)cc2)CC1

HCID59447558

未命名化合物

PROCEDURE

实验过程

The compound 104B was prepared as a TFA salt in a similar manner to the synthesis of step 2 of Example 51 by substituting compound 51A and compound 2C with compound 104A and compound 96D, respectively: APCI (+)/LC/MS: 733 (M+H)−.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58be109a047940fcb43103287f37d318
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(CCCI)=C(C(OCC)=O)N=1)CC2)=O.[CH3:44][N:45]1[CH2:50][CH2:49][CH:48]([NH:51][C:52]2[CH:57]=[CH:56][C:55]([OH:58])=[CH:54][CH:53]=2)[CH2:47][CH2:46]1.[S:59]1[C:63]2[CH:64]=[CH:65][CH:66]=[CH:67][C:62]=2[N:61]=[C:60]1[NH:68][C:69]([C:71]1[CH:72]=[CH:73][CH:74]=[C:75]2[C:80]=1[CH2:79][N:78]([C:81]1[N:86]=[C:85]([C:87]([O:89][C:90]([CH3:93])([CH3:92])[CH3:91])=[O:88])[C:84]([CH2:94][CH2:95][CH2:96]I)=[CH:83][CH:82]=1)[CH2:77][CH2:76]2)=[O:70]>>[S:59]1[C:63]2[CH:64]=[CH:65][CH:66]=[CH:67][C:62]=2[N:61]=[C:60]1[NH:68][C:69]([C:71]1[CH:72]=[CH:73][CH:74]=[C:75]2[C:80]=1[CH2:79][N:78]([C:81]1[N:86]=[C:85]([C:87]([O:89][C:90]([CH3:92])([CH3:91])[CH3:93])=[O:88])[C:84]([CH2:94][CH2:95][CH2:96][O:58][C:55]3[CH:56]=[CH:57][C:52]([NH:51][CH:48]4[CH2:47][CH2:46][N:45]([CH3:44])[CH2:50][CH2:49]4)=[CH:53][CH:54]=3)=[CH:83][CH:82]=1)[CH2:77][CH2:76]2)=[O:70]