HRID902489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68007

Benzene, 1-(bromomethyl)-3-fluoro-

C7H6BrF

结构：CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2[nH]c1=O

HCID58727588

未命名化合物

结构：CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2n(Cc2ccc(F)cc2)c1=O

HCID59702060

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2n(Cc2cccc(F)c2)c1=O

HCID59702052

未命名化合物

PROCEDURE

实验过程

This compound was prepared from 7-[4-(furan-2-carbonyl)-piperazin-1-yl]-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester (10) and 3-fluoro benzyl bromide by applying a similar method as described for 4-(4-fluoro-benzyl)-7-[4-(furan-2-carbonyl)-piperazin-1-yl]-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester (11). Yield 210 mg, (22%). 1H-NMR (DMSO-d6): δ 1.28 (t, J=7.2 Hz, 3H), 3.82 (m, 4H), 4.26 (q, J=7.2 Hz, 2H), 5.38 (s, 2H), 6.65 (m, 1H), 7.07 (m, 4H), 7.34 (d, J=5.6 Hz, 1H), 7.37 (m, 1H), 7.88 (m, 1H), 8.03 (d, J=5.6 Hz, 1H); EIMS m/z 510 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e654715fc25743bcabb265d849705e1c
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

[CH2:1]([O:3][C:4]([C:6]1[C:11](=[O:12])[NH:10][C:9]2[CH:13]=[CH:14][S:15][C:8]=2[C:7]=1[N:16]1[CH2:21][CH2:20][N:19]([C:22]([C:24]2[O:25][CH:26]=[CH:27][CH:28]=2)=[O:23])[CH2:18][CH2:17]1)=[O:5])[CH3:2].[F:29][C:30]1[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=1)[CH2:33]Br.C(OC(C1C(=O)N(CC2C=CC(F)=CC=2)C2C=CSC=2C=1N1CCN(C(C2OC=CC=2)=O)CC1)=O)C>>[CH2:1]([O:3][C:4]([C:6]1[C:11](=[O:12])[N:10]([CH2:33][C:32]2[CH:35]=[CH:36][CH:37]=[C:30]([F:29])[CH:31]=2)[C:9]2[CH:13]=[CH:14][S:15][C:8]=2[C:7]=1[N:16]1[CH2:21][CH2:20][N:19]([C:22]([C:24]2[O:25][CH:26]=[CH:27][CH:28]=2)=[O:23])[CH2:18][CH2:17]1)=[O:5])[CH3:2]