HRID1687665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)NC1CC(C)(C)c2ccc([N+](=O)[O-])cc2NC1=O

HCID67264518

未命名化合物

HCID86633902

未命名化合物

PRODUCTS

生成物

结构：C#CCNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)C(NC(C)=O)CC3(C)C)ncc1Cl

HCID86634003

未命名化合物

PROCEDURE

实验过程

Title compound was prepared from N-(5,5-Dimethyl-8-nitro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-acetamide and 2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-N-prop-2-ynyl-benzamide in an analogous manner to Example 1221d. Title compound was isolated as a white solid. (65 mg, 43%) LCMS 566 (M+H), 1H-NMR (DMSO-d6, 400 MHz) δ 9.50 (s, 1H), 9.39 (s, 1H), 9.17 (s, 1H), 8.93 (t, J=5.3 Hz, 1H), 8.18 (s, 1H), 8.04 (d, J=8.1 Hz, 1H), 7.51-7.46 (m, 2H), 7.37-7.34 (m, 1H), 7.24 (d, J=8.1 Hz, 1H), 7.14 (s, 1H), 7.08 (d, J=8.2 Hz, 1H), 4.23-4.16 (m, 1H), 4.00 (d, J=2.7 Hz, 2H), 3.10 (s, 1H), 2.09-2.04 (m, 1H), 1.88-1.84 (m, 1H), 1.84 (s, 3H), 1.32 (s, 3H), 1.23 (s, 3H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7287b2cf4164857a2a467a7b8b51156
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08148391B2
来源说明: uspto-grants-2012_04

反应 SMILES

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