HRID1408202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8016

N-Methyl-N-hydroxyethylamine

C3H9NO

结构：CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

HCID66588130

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCO)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

HCID69631468

未命名化合物

PROCEDURE

实验过程

This compound was prepared according to the procedure described for the synthesis of (S)—N1-(4-(diethylamino)-2-(4-((1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)-N3-methyl-N3-(2-morpholinoethyl)isophthalamide Example 131, using 2-(methylamino)ethanol in place of N-methyl-2-morpholinoethanamine. MS (ES, m/z): 620.32 [M+H]+.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb582e8f0d164134a2628e9e49dd49e1
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08916569B2
来源说明: uspto-grants-2014_12

反应 SMILES

[CH2:1]([N:3]([CH2:50][CH3:51])[C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11](=[O:30])[C:12]2[CH:29]=[CH:28][CH:27]=[C:14]([C:15]([N:17]([CH3:26])CCN3CCOCC3)=[O:16])[CH:13]=2)=[C:6]([C:31]2[CH:36]=[C:35]([C:37](=[O:49])[NH:38][C@@H:39]3[C:48]4[C:43](=[CH:44][CH:45]=[CH:46][CH:47]=4)[CH2:42][CH2:41][CH2:40]3)[CH:34]=[CH:33][N:32]=2)[CH:5]=1)[CH3:2].CN[CH2:54][CH2:55][OH:56]>>[CH2:1]([N:3]([CH2:50][CH3:51])[C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11](=[O:30])[C:12]2[CH:29]=[CH:28][CH:27]=[C:14]([C:15]([N:17]([CH2:54][CH2:55][OH:56])[CH3:26])=[O:16])[CH:13]=2)=[C:6]([C:31]2[CH:36]=[C:35]([C:37](=[O:49])[NH:38][C@@H:39]3[C:48]4[C:43](=[CH:44][CH:45]=[CH:46][CH:47]=4)[CH2:42][CH2:41][CH2:40]3)[CH:34]=[CH:33][N:32]=2)[CH:5]=1)[CH3:2]