HRID589504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2779210

4-(Pentafluorothio)benzoic acid

C7H5F5O2S

HCID86730985

未命名化合物

结构：Cc1c(N)cc(F)cc1-c1ncnc2[nH]c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc12

HCID86730996

未命名化合物

结构：CN(C)C(=O)N1CC=C(c2cc3c(-c4cccc(NC(=O)c5ccc(C(C)(C)O)cc5F)c4C(O[SiH2]C(C)(C)C)(c4ccccc4)c4ccccc4)ncnc3[nH]2)CC1

HCID131734464

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc(F)cc1-c1ncnc2[nH]c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc12

HCID86730997

未命名化合物

PROCEDURE

实验过程

Intermediate 23 was prepared analogue to Intermediate 9 by replacing Intermediate 7 with Intermediate 20 and Intermediate 8 with 4-(pentafluoro-sulfanyl)-benzoic acid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64d5692cdf0841149807476512946d75
来源数据集: uspto-grants-2016_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09233111B2
来源说明: uspto-grants-2016_01

反应 SMILES

CN(C)C(N1CC=C(C2NC3N=CN=C(C4C=CC=C(NC(=O)C5C=CC(C(O)(C)C)=CC=5F)C=4C(C4C=CC=CC=4)(C4C=CC=CC=4)O[SiH2]C(C)(C)C)C=3C=2)CC1)=O.[C:60]([O:64][C:65]([N:67]1[CH2:72][CH:71]=[C:70]([C:73]2[NH:90][C:76]3[N:77]=[CH:78][N:79]=[C:80]([C:81]4[CH:86]=[C:85]([F:87])[CH:84]=[C:83]([NH2:88])[C:82]=4[CH3:89])[C:75]=3[CH:74]=2)[CH2:69][CH2:68]1)=[O:66])([CH3:63])([CH3:62])[CH3:61].FC1C=C(C(O)(C)C)C=CC=1C(O)=O.[F:105][S:106]([F:119])([F:118])([F:117])([F:116])[C:107]1[CH:115]=[CH:114][C:110]([C:111](O)=[O:112])=[CH:109][CH:108]=1>>[C:60]([O:64][C:65]([N:67]1[CH2:68][CH:69]=[C:70]([C:73]2[NH:90][C:76]3[N:77]=[CH:78][N:79]=[C:80]([C:81]4[CH:86]=[C:85]([F:87])[CH:84]=[C:83]([NH:88][C:111](=[O:112])[C:110]5[CH:114]=[CH:115][C:107]([S:106]([F:119])([F:105])([F:116])([F:117])[F:118])=[CH:108][CH:109]=5)[C:82]=4[CH3:89])[C:75]=3[CH:74]=2)[CH2:71][CH2:72]1)=[O:66])([CH3:63])([CH3:62])[CH3:61]