HRID2190615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID521441

Benzeneacetic acid, 4-bromo-α-methyl-

C9H9BrO2

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)nc2)c1

HCID59318114

未命名化合物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)c(F)c2)c1

HCID59318193

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)O)c1ccc(N2CCN(c3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cn3)CC2)cc1

HCID67356842

未命名化合物

PROCEDURE

实验过程

(4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-phenyl)-propionic acid was synthesized from N-(3-tert-butyl-phenyl)-6-piperazin-1-yl-nicotinamide and 4-bromo phenyl propionic acid in a manner similar to the one described in the synthesis of 4-{4-[4-(3-tert-butyl-phenylcarbamoyl)-2-fluoro-phenyl]-piperazin-1-yl}-benzoic acid above. LCMS calcd for C29H34N4O3 (m/e) 486, obsd 487 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84ffe3d3f8d84134adec6d52fc3445e0
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08324385B2
来源说明: uspto-grants-2012_12

反应 SMILES

[C:1]([C:5]1[CH:6]=[C:7]([NH:11][C:12](=[O:25])[C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]3)=[N:15][CH:14]=2)[CH:8]=[CH:9][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].Br[C:27]1[CH:32]=[CH:31][C:30]([CH:33]([CH3:37])[C:34]([OH:36])=[O:35])=[CH:29][CH:28]=1.C(C1C=C(NC(C2C=CC(N3CCN(C4C=CC(C(O)=O)=CC=4)CC3)=C(F)C=2)=O)C=CC=1)(C)(C)C>>[C:1]([C:5]1[CH:6]=[C:7]([NH:11][C:12]([C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:24][CH2:23][N:22]([C:27]4[CH:32]=[CH:31][C:30]([CH:33]([CH3:37])[C:34]([OH:36])=[O:35])=[CH:29][CH:28]=4)[CH2:21][CH2:20]3)=[N:15][CH:14]=2)=[O:25])[CH:8]=[CH:9][CH:10]=1)([CH3:4])([CH3:2])[CH3:3]