HRID1788565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7320

Benzoic acid, 4-chloro-3-nitro-

C7H4ClNO4

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

HCID5276184

未命名化合物

HCID178461305

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCC(C)CC4)ccc3n2)c1

HCID5276131

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from Resin 534a and a mixture of cis and trans 4-methylcyclohexyl-amine according to the procedure described in the preparation of Compound 534.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85aae62cdf464e669bee6474f376901c
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[C@H]1CC[C@H](N)CC1.[Cl:22][C:23]1[CH:60]=[CH:59][C:26]([C:27]2[C:32]([C:33]3[CH:42]=[CH:41][C:40]4[C:35](=[CH:36][CH:37]=[C:38]([C:43]5[N:47](CC)[C:46]6[CH:50]=[CH:51][C:52]([C:54](O)=O)=[CH:53][C:45]=6N=5)[CH:39]=4)[N:34]=3)=[CH:31][C:30]([O:57][CH3:58])=[CH:29][CH:28]=2)=[CH:25][CH:24]=1>>[Cl:22][C:23]1[CH:60]=[CH:59][C:26]([C:27]2[C:32]([C:33]3[CH:42]=[CH:41][C:40]4[C:35](=[CH:36][CH:37]=[C:38]([C:43]5[N:47]([CH:46]6[CH2:45][CH2:53][CH:52]([CH3:54])[CH2:51][CH2:50]6)[C:2]6[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=6[N:11]=5)[CH:39]=4)[N:34]=3)=[CH:31][C:30]([O:57][CH3:58])=[CH:29][CH:28]=2)=[CH:25][CH:24]=1