HRID541694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID547454

4-Amino-1,2,5-oxadiazole-3-carboxylic acid

C3H3N3O3

结构：O=C(CC1CCNCC1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

HCID86636208

未命名化合物

PRODUCTS

生成物

结构：Nc1nonc1C(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

HCID86636215

未命名化合物

收率 41%

PROCEDURE

实验过程

The desired compound was prepared according to the procedure of Example A27, using N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[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]-2-piperidin-4-ylacetamide bis(trifluoroacetate) and 4-amino-1,2,5-oxadiazole-3-carboxylic acid as starting materials in 41% yield. LCMS for C27H28ClN10O3 (M+H)+: m/z=575.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1793ccbb869b4af8b829e71a9298c5bb
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].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].[Cl:15][C:16]1[CH:17]=[N:18][C:19]2[NH:20][C:21]3[CH:22]=[N:23][CH:24]=[C:25]([CH:47]=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](=[O:46])[CH2:39][CH:40]1[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]1.[NH2:48][C:49]1[C:50]([C:54](O)=[O:55])=[N:51][O:52][N:53]=1>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[NH2:48][C:49]1[C:50]([C:54]([N:43]2[CH2:44][CH2:45][CH:40]([CH2:39][C:38]([NH:37][C:29]3[CH:30]=[CH:31][C:32]4[NH:33][C:34]5[N:35]=[C:19]([NH:20][C:21]6[CH:22]=[N:23][CH:24]=[C:25]([CH:47]=6)[CH2:26][CH2:27][C:28]=3[CH:36]=4)[N:18]=[CH:17][C:16]=5[Cl:15])=[O:46])[CH2:41][CH2:42]2)=[O:55])=[N:51][O:52][N:53]=1