HRID589505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1c(NC(=O)c2ccc(C3CC3)cc2)cc(F)cc1-c1ncnc2[nH]c(C3=CCNCC3)cc12

HCID71231439

未命名化合物

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

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc(F)cc1-c1ncnc2[nH]c(C3=CCNCC3)cc12

HCID86730998

未命名化合物

PROCEDURE

实验过程

Intermediate 24 was prepared analogue to Intermediate 22 by replacing Intermediate 21 with Intermediate 23.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9c03ec592d2464b970760e6d60cea0d
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

C1(C2C=CC(C(NC3C=C(F)C=C(C4C5C=C(C6CCNCC=6)NC=5N=CN=4)C=3C)=O)=CC=2)CC1.C(OC([N:43]1[CH2:48][CH:47]=[C:46]([C:49]2[NH:80][C:52]3[N:53]=[CH:54][N:55]=[C:56]([C:57]4[CH:62]=[C:61]([F:63])[CH:60]=[C:59]([NH:64][C:65](=[O:78])[C:66]5[CH:71]=[CH:70][C:69]([S:72]([F:77])([F:76])([F:75])([F:74])[F:73])=[CH:68][CH:67]=5)[C:58]=4[CH3:79])[C:51]=3[CH:50]=2)[CH2:45][CH2:44]1)=O)(C)(C)C>>[F:63][C:61]1[CH:62]=[C:57]([C:56]2[C:51]3[CH:50]=[C:49]([C:46]4[CH2:47][CH2:48][NH:43][CH2:44][CH:45]=4)[NH:80][C:52]=3[N:53]=[CH:54][N:55]=2)[C:58]([CH3:79])=[C:59]([NH:64][C:65](=[O:78])[C:66]2[CH:71]=[CH:70][C:69]([S:72]([F:77])([F:73])([F:74])([F:75])[F:76])=[CH:68][CH:67]=2)[CH:60]=1