HRID541729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(N2CCC(CC(=O)O)CC2)no1.O=C(O)C(F)(F)F

HCID66880432

未命名化合物

结构：Cl.Cl.Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2

HCID66896050

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)no1.O=C(O)C(F)(F)F

HCID66896554

未命名化合物

收率 8%

PROCEDURE

实验过程

The desired compound was prepared according to the procedure of Example A169, step B using 6-chloro2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-amine dihydrochloride and [1-(5-methylisoxazol-3-yl)piperidin-4-yl]acetic acid trifluoroacetate as starting materials in 8% yield. LCMS for C29H31ClN7O2 (M+H)+: m/z=544.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6c9578ea2624b98805d4f15d0143ff1
来源数据集: uspto-grants-2014_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08871753B2
来源说明: uspto-grants-2014_10

反应 SMILES

Cl.Cl.[Cl:3][C:4]1[CH:5]=[N:6][C:7]2[NH:8][C:9]3[CH:10]=[CH:11][CH:12]=[C:13]([CH:26]=3)[CH2:14][CH2:15][C:16]3[CH:24]=[C:20]([NH:21][C:22]=1[N:23]=2)[CH:19]=[CH:18][C:17]=3[NH2:25].[F:27][C:28]([F:33])([F:32])[C:29]([OH:31])=[O:30].[CH3:34][C:35]1[O:39][N:38]=[C:37]([N:40]2[CH2:45][CH2:44][CH:43]([CH2:46][C:47](O)=[O:48])[CH2:42][CH2:41]2)[CH:36]=1>>[F:27][C:28]([F:33])([F:32])[C:29]([OH:31])=[O:30].[Cl:3][C:4]1[CH:5]=[N:6][C:7]2[NH:8][C:9]3[CH:10]=[CH:11][CH:12]=[C:13]([CH:26]=3)[CH2:14][CH2:15][C:16]3[CH:24]=[C:20]([NH:21][C:22]=1[N:23]=2)[CH:19]=[CH:18][C:17]=3[NH:25][C:47](=[O:48])[CH2:46][CH:43]1[CH2:42][CH2:41][N:40]([C:37]2[CH:36]=[C:35]([CH3:34])[O:39][N:38]=2)[CH2:45][CH2:44]1