HRID2175255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

结构：Cc1cccc(OCCCC(=O)N2CCCc3c(-c4ccc(CO)cc4)cccc32)c1C

HCID70981868

未命名化合物

结构：CC(C)(C)OC(=O)NCc1cccc(Cn2cc(Br)cn2)c1

HCID70982704

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(OCCCC(=O)N2CCCc3c(-c4cnn(Cc5cccc(CNC(=O)OC(C)(C)C)c5)c4)cccc32)c1C

HCID86712583

未命名化合物

PROCEDURE

实验过程

The title compound was prepared using a procedure analogous to 4-(2,3-dimethylphenoxy)-1-(5-(4-(hydroxymethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)butan-1-one except that 4-(hydroxymethyl)phenylboronic acid was replaced with tert-butyl 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzylcarbamate. LCMS, [M+H]+=609.4.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cb3d83130784ca89a02f0c4bfab4c10
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09062028B2
来源说明: uspto-grants-2015_06

反应 SMILES

[CH3:1][C:2]1[C:31]([CH3:32])=[CH:30][CH:29]=[CH:28][C:3]=1[O:4][CH2:5][CH2:6][CH2:7][C:8]([N:10]1[C:19]2[C:14](=[C:15](C3C=CC(CO)=CC=3)[CH:16]=[CH:17][CH:18]=2)[CH2:13][CH2:12][CH2:11]1)=[O:9].OCC1C=CC(B(O)O)=CC=1.Br[C:45]1[CH:46]=[N:47][N:48]([CH2:50][C:51]2[CH:52]=[C:53]([CH:63]=[CH:64][CH:65]=2)[CH2:54][NH:55][C:56](=[O:62])[O:57][C:58]([CH3:61])([CH3:60])[CH3:59])[CH:49]=1>>[CH3:1][C:2]1[C:31]([CH3:32])=[CH:30][CH:29]=[CH:28][C:3]=1[O:4][CH2:5][CH2:6][CH2:7][C:8]([N:10]1[C:19]2[C:14](=[C:15]([C:45]3[CH:46]=[N:47][N:48]([CH2:50][C:51]4[CH:52]=[C:53]([CH:63]=[CH:64][CH:65]=4)[CH2:54][NH:55][C:56](=[O:62])[O:57][C:58]([CH3:61])([CH3:60])[CH3:59])[CH:49]=3)[CH:16]=[CH:17][CH:18]=2)[CH2:13][CH2:12][CH2:11]1)=[O:9]