HRID902817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID83242

4-Phenylbutylamine

C10H15N

HCID5354261

trans-Cinnamoyl chloride

C9H7ClO

HCID16770770

Methyl [4-(aminomethyl)phenoxy]acetate

C10H13NO3

HCID58693699

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COc1ccc(CN(Cc2csc(-c3ccc(C(=O)NCCCCc4ccccc4)cc3)n2)C(=O)/C=C/c2ccccc2)cc1

HCID11296771

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following the procedure A using 4-phenylbutylamine, 4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride, (2E)-3-phenylacryloyl chloride and methyl[4-(aminomethyl)phenoxy]acetate, acetate salt. M+(ESI): 660.1

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31778f05a83e40bcb950dfbdbfd48c9a
来源数据集: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07365225B2
来源说明: uspto-grants-2008_04

反应 SMILES

[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][NH2:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl[CH2:13][C:14]1[N:15]=[C:16]([C:19]2[CH:27]=[CH:26][C:22]([C:23](Cl)=[O:24])=[CH:21][CH:20]=2)[S:17][CH:18]=1.[C:28]1(/[CH:34]=[CH:35]/[C:36](Cl)=[O:37])[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.C[O:40][C:41](=[O:52])[CH2:42][O:43][C:44]1[CH:49]=[CH:48][C:47]([CH2:50][NH2:51])=[CH:46][CH:45]=1>>[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][NH:11][C:23]([C:22]2[CH:26]=[CH:27][C:19]([C:16]3[S:17][CH:18]=[C:14]([CH2:13][N:51]([CH2:50][C:47]4[CH:48]=[CH:49][C:44]([O:43][CH2:42][C:41]([OH:52])=[O:40])=[CH:45][CH:46]=4)[C:36](=[O:37])/[CH:35]=[CH:34]/[C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)[N:15]=3)=[CH:20][CH:21]=2)=[O:24])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1