HRID1788560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7320

Benzoic acid, 4-chloro-3-nitro-

C7H4ClNO4

HCID7894

3-Methyl-1-butanamine

C5H13N

结构：CCn1c(-c2ccc3nc(-c4cc(OC)ccc4-c4ccc(Cl)cc4)ccc3c2)nc2cc(C(=O)O)ccc21

HCID5276184

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4CCC(C)C)ccc3n2)c1

HCID5276182

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from Resin 534a and isoamylamine according to the procedure described in the preparation Compound 534.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e2b3249e2694788abdfe82fec322288
来源数据集: uspto-grants-2009_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07511145B2
来源说明: uspto-grants-2009_03

反应 SMILES

Cl[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[N+:11]([O-])=O.C(N)CC(C)C.[Cl:20][C:21]1[CH:58]=[CH:57][C:24]([C:25]2[C:30]([C:31]3[CH:40]=[CH:39][C:38]4[C:33](=[CH:34][CH:35]=[C:36]([C:41]5N(CC)C6C=[CH:49][C:50]([C:52](O)=O)=[CH:51][C:43]=6[N:42]=5)[CH:37]=4)[N:32]=3)=[CH:29][C:28]([O:55][CH3:56])=[CH:27][CH:26]=2)=[CH:23][CH:22]=1>>[Cl:20][C:21]1[CH:58]=[CH:57][C:24]([C:25]2[C:30]([C:31]3[CH:40]=[CH:39][C:38]4[C:33](=[CH:34][CH:35]=[C:36]([C:41]5[N:42]([CH2:43][CH2:51][CH:50]([CH3:52])[CH3:49])[C:2]6[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=6[N:11]=5)[CH:37]=4)[N:32]=3)=[CH:29][C:28]([O:55][CH3:56])=[CH:27][CH:26]=2)=[CH:23][CH:22]=1