HRID1024478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67150320

未命名化合物

2 次

结构：COC(=O)C(NC(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C

HCID67150324

未命名化合物

PRODUCTS

生成物

结构：CCC(C#N)(CC)c1ccc(C(=O)Nc2ccc(-c3cnc(C(=O)NC(C(=O)OC)C(C)C)s3)cc2)cc1

HCID52934136

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized analogous to Example 85, using methyl 4-(3-cyanopentan-3-yl)benzoate (Intermediate 6) and intermediate 2. 1HNMR (DMSO-d6, 300 MHz) δ 10.52 (s, 1H), 8.78 (d, 1H), 8.41 (s, 1H), 8.03 (d, 2H), 7.93 (d, 2H), 7.81 (d, 2H), 7.62 (d, 2H), 4.33 (m, 1H), 3.68 (s, 3H), 2.26 (m, 1H), 2.1-2.02 (m, 4H), 0.95 (t, 6H), 0.81 (t, 6H); MS (ES+): m/z 533.2 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef37235f957042b9a0ea56d138298beb
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08722901B2
来源说明: uspto-grants-2014_05

反应 SMILES

[C:1]([C:3]([C:8]1[CH:17]=[CH:16][C:11]([C:12]([O:14]C)=O)=[CH:10][CH:9]=1)([CH2:6][CH3:7])[CH2:4][CH3:5])#[N:2].[CH3:18][CH:19]([CH3:42])[CH:20]([NH:25][C:26]([C:28]1[S:29][C:30]([C:33]2[CH:38]=[CH:37][C:36]([N+:39]([O-])=O)=[CH:35][CH:34]=2)=[CH:31][N:32]=1)=[O:27])[C:21]([O:23][CH3:24])=[O:22]>>[C:1]([C:3]([C:8]1[CH:9]=[CH:10][C:11]([C:12]([NH:39][C:36]2[CH:37]=[CH:38][C:33]([C:30]3[S:29][C:28]([C:26]([NH:25][CH:20]([CH:19]([CH3:42])[CH3:18])[C:21]([O:23][CH3:24])=[O:22])=[O:27])=[N:32][CH:31]=3)=[CH:34][CH:35]=2)=[O:14])=[CH:16][CH:17]=1)([CH2:4][CH3:5])[CH2:6][CH3:7])#[N:2]