HRID14793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1669

4-(2-Aminoethyl)-2-methoxyphenol

C9H13NO2

结构：CC(C)(C)OC(=O)N1CCC(N(Cc2cccc(-c3ccnc(Cl)n3)c2)S(C)(=O)=O)CC1

HCID86603264

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCNc2nccc(-c3cccc(CN(C4CCNCC4)S(C)(=O)=O)c3)n2)ccc1O

HCID58603567

未命名化合物

PROCEDURE

实验过程

Intermediate 30 was coupled with 4-(2-amino-ethyl)-2-methoxy-phenol following procedure F. The resulting product was deprotected following procedure G. LC-MS showed the product had the expected M+H+ of 512. 1H NMR (Varian 300 MHz, CD3OD, shifts relative to the solvent peak at 3.3 ppm) δ 8.3 (d, 1H), 8.0 (d, 2H) 7.6 (m, 2H), 7.5 (t, 1H), 7.2 (d, 1H), 6.8 (d, 1H), δ 6.7 (s, 1H), 4.5 (d, 2H), δ 3.8 (s, 3H), 3.3 (t, 2H), δ 3.0 (s, 3H), 2.9 (m, 5H), δ 2.8 (t, 2H), δ 2.0 (m, 4H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5021cadce224fdebc0d731aa1a5e8f9
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07732444B2
来源说明: uspto-grants-2010_06

反应 SMILES

C(OC([N:8]1[CH2:13][CH2:12][CH:11]([N:14]([CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([C:26]3[CH:31]=[CH:30][N:29]=[C:28](Cl)[N:27]=3)[CH:21]=2)[S:15]([CH3:18])(=[O:17])=[O:16])[CH2:10][CH2:9]1)=O)(C)(C)C.[NH2:33][CH2:34][CH2:35][C:36]1[CH:41]=[CH:40][C:39]([OH:42])=[C:38]([O:43][CH3:44])[CH:37]=1>>[OH:42][C:39]1[CH:40]=[CH:41][C:36]([CH2:35][CH2:34][NH:33][C:28]2[N:27]=[C:26]([C:22]3[CH:21]=[C:20]([CH:25]=[CH:24][CH:23]=3)[CH2:19][N:14]([CH:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)[S:15]([CH3:18])(=[O:16])=[O:17])[CH:31]=[CH:30][N:29]=2)=[CH:37][C:38]=1[O:43][CH3:44]