HRID1180951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8072

2-(Ethylamino)ethanol

C4H11NO

结构：CC(C)n1cc(-c2cccc3c2cc(-c2ccc(C=O)cc2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID86613326

未命名化合物

PRODUCTS

生成物

结构：CCN(CCO)Cc1ccc(-c2cc3c(-c4cn(C(C)C)nc4-c4ccc([N+](=O)[O-])cc4)cccc3n2S(=O)(=O)c2ccccc2)cc1

HCID68998220

未命名化合物

PROCEDURE

实验过程

Following the procedure described for Intermediate 101 using 4-[4-[1-(1-methylethyl)-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-indol-2-yl]benzaldehyde and 2-(ethylamino)ethanol (18.8 mmol) provided the title compound. ESMS [M+H]+: 665.4.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36ac36f4d874409ba547dacb47a9c07e
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07282588B2
来源说明: uspto-grants-2007_10

反应 SMILES

[CH3:1][CH:2]([N:4]1[CH:8]=[C:7]([C:9]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:10]=2[CH:11]=[C:12]([C:27]2[CH:34]=[CH:33][C:30]([CH:31]=O)=[CH:29][CH:28]=2)[N:13]3[S:18]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)(=[O:20])=[O:19])[C:6]([C:35]2[CH:40]=[CH:39][C:38]([N+:41]([O-:43])=[O:42])=[CH:37][CH:36]=2)=[N:5]1)[CH3:3].[CH2:44]([NH:46][CH2:47][CH2:48][OH:49])[CH3:45]>>[CH2:44]([N:46]([CH2:31][C:30]1[CH:29]=[CH:28][C:27]([C:12]2[N:13]([S:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)(=[O:19])=[O:20])[C:14]3[C:10]([CH:11]=2)=[C:9]([C:7]2[C:6]([C:35]4[CH:40]=[CH:39][C:38]([N+:41]([O-:43])=[O:42])=[CH:37][CH:36]=4)=[N:5][N:4]([CH:2]([CH3:3])[CH3:1])[CH:8]=2)[CH:17]=[CH:16][CH:15]=3)=[CH:34][CH:33]=1)[CH2:47][CH2:48][OH:49])[CH3:45]