HRID1829658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID98969

Ethyl nipecotate

C8H15NO2

结构：Cc1ccccc1-c1nc(S(C)(=O)=O)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

HCID22053591

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN3)C1

HCID22053580

未命名化合物

收率 78%

PROCEDURE

实验过程

In a similar manner to Example 1, 6-[3,5-bis(trifluoromethyl)benzyl]-5,6,7,8,9,10-hexahydro-4-(2-methylphenyl)-2-(methylsulfonyl)-5-oxopyrimido[4,5-b][1,5]diazocine (Compound of Reference Example 19; 85.9 mg) was reacted with 3-(ethoxycarbonyl)piperidine (28.3 mg) to obtain 6-[3,5-bis(trifluoromethyl)benzyl]-2-[3-(ethoxycarbonyl)piperidine-1-yl]-5,6,7,8,9,10-hexahydro-4-(2-methylphenyl)-5-oxopyrimido[4,5-b][1,5]diazocine (76.0 mg, 78%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed2fd3eba6124209add554560753b1f0
来源数据集: uspto-grants-2006_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07064119B2
来源说明: uspto-grants-2006_06

反应 SMILES

[F:1][C:2]([F:39])([F:38])[C:3]1[CH:4]=[C:5]([CH:31]=[C:32]([C:34]([F:37])([F:36])[F:35])[CH:33]=1)[CH2:6][N:7]1[CH2:14][CH2:13][CH2:12][NH:11][C:10]2[N:15]=[C:16](S(C)(=O)=O)[N:17]=[C:18]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[CH3:25])[C:9]=2[C:8]1=[O:30].[CH2:40]([O:42][C:43]([CH:45]1[CH2:50][CH2:49][CH2:48][NH:47][CH2:46]1)=[O:44])[CH3:41]>>[F:1][C:2]([F:39])([F:38])[C:3]1[CH:4]=[C:5]([CH:31]=[C:32]([C:34]([F:37])([F:36])[F:35])[CH:33]=1)[CH2:6][N:7]1[CH2:14][CH2:13][CH2:12][NH:11][C:10]2[N:15]=[C:16]([N:47]3[CH2:48][CH2:49][CH2:50][CH:45]([C:43]([O:42][CH2:40][CH3:41])=[O:44])[CH2:46]3)[N:17]=[C:18]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[CH3:25])[C:9]=2[C:8]1=[O:30]