HRID2284115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1CCN(c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)cc2)CC1

HCID86673957

未命名化合物

结构：CN1CCN(c2ccc(NC(=O)c3ccc(C=O)cc3)cc2)CC1

HCID86673958

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(NC(=O)c3ccc(-c4nc5cc(NC(=O)c6ccc(N7CCN(C)CC7)cc6)ccc5[nH]4)cc3)cc2)CC1

HCID178480752

未命名化合物

PROCEDURE

实验过程

Compound 196 was prepared according to the procedure similar to that described in Scheme III from 3,4-dinitro-N-(4-(4-methylpiperazin-1-yl)benzoyl)aniline and 4-(4-(4-methylpiperazin-1-yl)phenyl)aminocarbonylbenzaldehyde. [M+H]+ calcd for C37H40N8O2: 629.33; found: 629.16.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b0582509a2f42c4b76ff598bdfe3016
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09144557B2
来源说明: uspto-grants-2015_09

反应 SMILES

[N+:1]([C:4]1[CH:5]=[C:6]([CH:23]=[CH:24][C:25]=1[N+:26]([O-])=O)[NH:7][C:8](=[O:22])[C:9]1[CH:14]=[CH:13][C:12]([N:15]2[CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][CH2:16]2)=[CH:11][CH:10]=1)([O-])=O.[CH3:29][N:30]1[CH2:35][CH2:34][N:33]([C:36]2[CH:41]=[CH:40][C:39]([NH:42][C:43]([C:45]3[CH:52]=[CH:51][C:48]([CH:49]=O)=[CH:47][CH:46]=3)=[O:44])=[CH:38][CH:37]=2)[CH2:32][CH2:31]1>>[CH3:21][N:18]1[CH2:19][CH2:20][N:15]([C:12]2[CH:13]=[CH:14][C:9]([C:8]([NH:7][C:6]3[CH:23]=[CH:24][C:25]4[NH:26][C:49]([C:48]5[CH:51]=[CH:52][C:45]([C:43](=[O:44])[NH:42][C:39]6[CH:40]=[CH:41][C:36]([N:33]7[CH2:34][CH2:35][N:30]([CH3:29])[CH2:31][CH2:32]7)=[CH:37][CH:38]=6)=[CH:46][CH:47]=5)=[N:1][C:4]=4[CH:5]=3)=[O:22])=[CH:10][CH:11]=2)[CH2:16][CH2:17]1