HRID541588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736265

3,5-dimethylisoxazole-4-carbonyl chloride

C6H6ClNO2

结构：O=C(Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

HCID86636132

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1C(=O)N1CCC(C(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F

HCID86636135

未命名化合物

收率 36%

PROCEDURE

实验过程

The desired compound was prepared according to the procedure of Example A20, using N-[6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]piperidine-4-carboxamide bis(trifluoroacetate) and 3,5-dimethylisoxazole-4-carbonyl chloride as starting materials in 36% yield. LCMS for C30H31ClN7O3 (M+H)+: m/z=572.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1836ed1be7b47febd7f95f5673a42fa
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

[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].FC(F)(F)C(O)=O.[Cl:15][C:16]1[CH:17]=[N:18][C:19]2[NH:20][C:21]3[CH:22]=[CH:23][CH:24]=[C:25]([CH:46]=3)[CH2:26][CH2:27][C:28]3[CH:36]=[C:32]([NH:33][C:34]=1[N:35]=2)[CH:31]=[CH:30][C:29]=3[NH:37][C:38]([CH:40]1[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]1)=[O:39].[CH3:47][C:48]1[C:52]([C:53](Cl)=[O:54])=[C:51]([CH3:56])[O:50][N:49]=1>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[Cl:15][C:16]1[CH:17]=[N:18][C:19]2[NH:20][C:21]3[CH:22]=[CH:23][CH:24]=[C:25]([CH:46]=3)[CH2:26][CH2:27][C:28]3[CH:36]=[C:32]([NH:33][C:34]=1[N:35]=2)[CH:31]=[CH:30][C:29]=3[NH:37][C:38]([CH:40]1[CH2:45][CH2:44][N:43]([C:53]([C:52]2[C:48]([CH3:47])=[N:49][O:50][C:51]=2[CH3:56])=[O:54])[CH2:42][CH2:41]1)=[O:39]