HRID1055747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(Cn2cc(-c3cc4n(-c5cc(NC(=O)c6cc(C#N)cc(S(F)(F)(F)(F)F)c6)ccc5C)ccn4n3)cn2)cc1

HCID89699566

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cc(C#N)cc(S(F)(F)(F)(F)F)c2)cc1-n1ccn2nc(-c3cn[nH]c3)cc12

HCID136630243

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6422

未命名化合物

PROCEDURE

实验过程

80 mg (0.10 mmol) of the compound of Example 75A were stirred in 0.8 ml of trifluoroacetic acid at 90° C. for 60 min. The reaction was then concentrated under reduced pressure and the residue was purified by preparative HPLC (Method 34). This gave 49 mg (90% of theory) of the title compound.

WORKUP

后处理

concentrationThe reaction was then concentrated under reduced pressure
customthe residue was purified by preparative HPLC (Method 34)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc1fc08e4e124644b77ab7ccd193fb38
来源数据集: uspto-grants-2016_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09394309B2
来源说明: uspto-grants-2016_07

反应 SMILES

[C:1]([C:3]1[CH:4]=[C:5]([CH:38]=[C:39]([S:41]([F:46])([F:45])([F:44])([F:43])[F:42])[CH:40]=1)[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([CH3:15])=[C:11]([N:16]2[C:23]3[N:19]([N:20]=[C:21]([C:24]4[CH:25]=[N:26][N:27](CC5C=CC(OC)=CC=5)[CH:28]=4)[CH:22]=3)[CH:18]=[CH:17]2)[CH:10]=1)=[O:7])#[N:2]>FC(F)(F)C(O)=O>[C:1]([C:3]1[CH:4]=[C:5]([CH:38]=[C:39]([S:41]([F:46])([F:43])([F:42])([F:44])[F:45])[CH:40]=1)[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([CH3:15])=[C:11]([N:16]2[C:23]3[N:19]([N:20]=[C:21]([C:24]4[CH:25]=[N:26][NH:27][CH:28]=4)[CH:22]=3)[CH:18]=[CH:17]2)[CH:10]=1)=[O:7])#[N:2]