HRID874578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(COc2ccc(S(=O)(=O)Cl)cc2)c2ccccc2n1.Cl

HCID86607865

未命名化合物

结构：COC(=O)[C@H](CN)N1CCN(Cc2ccc(F)cc2)CC1.Cl.Cl.Cl

HCID86667914

未命名化合物

结构：Cc1cc(COc2ccc(S(=O)(=O)NCC(C(=O)[O-])N3CCN(Cc4ccc(F)cc4)CC3)cc2)c2ccccc2n1

HCID86715676

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)N1CCN(Cc2ccc(F)cc2)CC1

HCID86675023

未命名化合物

PROCEDURE

实验过程

In a manner analogous to example 3.6, using 1.5 g (3.7 mmol) of methyl (S)-3-amino-2-[4-(4-fluorobenzyl)piperazin-1-yl]propanoate trihydro chloride and 1.6 g (4.1 mmol) of 4-(2-methylquinolin-4-ylmethoxy)benzenesulfonyl chloride hydrochloride (prepared as described in 17.2), 1.0 g (46%) of methyl (S)-2-[4-(4-fluorobenzyl)piperazin-1-yl-3-(4-(2-methylquinolin-4-ylmethoxy)benzenesulfonylamino]propanoate is obtained in the form of a white solid.

WORKUP

后处理

customis obtained in the form of a white solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-887584038fcb48978af16e38f1f5730e
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08980897B2
来源说明: uspto-grants-2015_03

反应 SMILES

Cl.Cl.Cl.[NH2:4][CH2:5][C@H:6]([N:11]1[CH2:16][CH2:15][N:14]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([F:24])=[CH:20][CH:19]=2)[CH2:13][CH2:12]1)[C:7]([O:9][CH3:10])=[O:8].Cl.[CH3:26][C:27]1[CH:36]=[C:35]([CH2:37][O:38][C:39]2[CH:44]=[CH:43][C:42]([S:45](Cl)(=[O:47])=[O:46])=[CH:41][CH:40]=2)[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[N:28]=1.FC1C=CC(CN2CCN(C(CNS(C3C=CC(OCC4C5C(=CC=CC=5)N=C(C)C=4)=CC=3)(=O)=O)C([O-])=O)CC2)=CC=1>>[F:24][C:21]1[CH:20]=[CH:19][C:18]([CH2:17][N:14]2[CH2:13][CH2:12][N:11]([C@@H:6]([CH2:5][NH:4][S:45]([C:42]3[CH:43]=[CH:44][C:39]([O:38][CH2:37][C:35]4[C:34]5[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=5)[N:28]=[C:27]([CH3:26])[CH:36]=4)=[CH:40][CH:41]=3)(=[O:46])=[O:47])[C:7]([O:9][CH3:10])=[O:8])[CH2:16][CH2:15]2)=[CH:23][CH:22]=1