HRID902500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2sccc2n(Cc2cccc(F)c2)c1=O

HCID11852697

未命名化合物

结构：CC(C)OC(=O)c1c(Cl)c2sccc2n(Cc2cccc(F)c2)c1=O

HCID69314112

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2sccc2n(Cc2cccc(F)c2)c1=O

HCID59702103

未命名化合物

PROCEDURE

实验过程

This compound was prepared from 7-chloro-4-(3-fluoro-benzyl)-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carboxylic acid isopropyl ester (18) by applying the same procedure as described for 4-(3-fluoro-benzyl)-5-oxo-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester (9). Yield (57%). 1H-NMR (DMSO-d6) δ 1.29 (d, J=6.4 Hz, 6H), 3.37 (m, 4H), 3.81 (m, 4H), 5.10 (m, 1H), 5.38 (s, 2H), 7.04-7.16 (m, 4H), 7.32 (d, J=5.6 Hz, 1H), 7.37 (m, 1H), 7.47 (dd, J=1.2, 3.6 Hz, 1H), 7.79 (dd, J=1.2, 5.2 Hz, 1H), 8.02 (d, J=5.6 Hz, 1H); EIMS m/z 540 (M+1).

WORKUP

后处理

customYield (57%)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-260ef21deaac4af28e7bfd18277b246e
来源数据集: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07365200B2
来源说明: uspto-grants-2008_04

反应 SMILES

[CH:1]([O:4][C:5]([C:7]1[C:12](=[O:13])[N:11]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[CH:16]=2)[C:10]2[CH:22]=[CH:23][S:24][C:9]=2[C:8]=1Cl)=[O:6])([CH3:3])[CH3:2].C(OC(C1C(=O)N(CC2C=CC=C(F)C=2)C2C=CSC=2C=1[N:49]1[CH2:54][CH2:53][N:52]([C:55]([C:57]2[S:58][CH:59]=[CH:60][CH:61]=2)=[O:56])[CH2:51][CH2:50]1)=O)C>>[CH:1]([O:4][C:5]([C:7]1[C:12](=[O:13])[N:11]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[CH:16]=2)[C:10]2[CH:22]=[CH:23][S:24][C:9]=2[C:8]=1[N:49]1[CH2:54][CH2:53][N:52]([C:55]([C:57]2[S:58][CH:59]=[CH:60][CH:61]=2)=[O:56])[CH2:51][CH2:50]1)=[O:6])([CH3:3])[CH3:2]