HRID2386322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID114772

5-Hydroxydopamine

C8H11NO3

结构：CC(C)(C)OC(=O)NCCCN(Cc1cccc(-c2ccnc(Cl)n2)c1)S(C)(=O)=O

HCID86603242

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCN(Cc1cccc(-c2ccnc(NCCc3cc(O)c(O)c(O)c3)n2)c1)S(C)(=O)=O

HCID58603460

未命名化合物

PROCEDURE

实验过程

Intermediate 4 was coupled with 5-(2-Amino-ethyl)-benzene-1,2,3-triol following procedure F. LC-MS showed the product had the expected M+H+ of 588. 1H NMR (Varian 300 MHz, CDCl3, shifts relative to the solvent peak at 7.24 ppm) δ 8.2 (m, 2H) 8.0 (m, 1H) 7.6 (m, 2H) 7.3 (m, 3H) 4.8 (m, 1H) 4.5 (s, 2H) 3.9 (m, 2H) 3.3 (m, 2H) 3.0 (m, 2H) 2.9 (m, 5H) 1.6 (m, 2H) 1.4 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e5318be0fac4f67b5fdf3190a72d973
来源数据集: uspto-grants-2012_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08268822B2
来源说明: uspto-grants-2012_09

反应 SMILES

[C:1]([O:5][C:6](=[O:30])[NH:7][CH2:8][CH2:9][CH2:10][N:11]([CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([C:23]2[CH:28]=[CH:27][N:26]=[C:25](Cl)[N:24]=2)[CH:18]=1)[S:12]([CH3:15])(=[O:14])=[O:13])([CH3:4])([CH3:3])[CH3:2].[NH2:31][CH2:32][CH2:33][C:34]1[CH:35]=[C:36]([OH:42])[C:37]([OH:41])=[C:38]([OH:40])[CH:39]=1>>[C:1]([O:5][C:6](=[O:30])[NH:7][CH2:8][CH2:9][CH2:10][N:11]([S:12]([CH3:15])(=[O:14])=[O:13])[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([C:23]2[CH:28]=[CH:27][N:26]=[C:25]([NH:31][CH2:32][CH2:33][C:34]3[CH:35]=[C:36]([OH:42])[C:37]([OH:41])=[C:38]([OH:40])[CH:39]=3)[N:24]=2)[CH:18]=1)([CH3:4])([CH3:3])[CH3:2]