HRID1292405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21254042

未命名化合物

反应SMILES：CCOC(=O)Cc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN)c2c1

HCID54097729

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)Cc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1

HCID44214069

未命名化合物

收率 29%

PROCEDURE

实验过程

The reductive amination reaction of [3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-acetic acid ethyl ester and 4-[4-(methanesulfonamido)phenyl]butyraldehyde was accomplished according to the procedure of Example 14.1, Step 14.1B to give the titled compound in 29% yield as a stiff foam; homogenous by TLC in 92.5:7.5 CH2Cl2 --MeOH. 500 MHz 1H NMR (CDCl3) was consistent with the assigned structure. Mass spectrum (ESI): m/e=576 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e77fe59f53e9495f93415d80d5c5864b
来源数据集: uspto-grants-1998_05
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US05756507
来源说明: uspto-grants-1998_05

反应SMILES

[CH2:1]([O:3][C:4](=[O:26])[CH2:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[NH:11][C:10]([C:15]1[CH:20]=[C:19]([CH3:21])[CH:18]=[C:17]([CH3:22])[CH:16]=1)=[C:9]2[CH2:23][CH2:24][NH2:25])[CH3:2].[CH3:27][S:28]([NH:31][C:32]1[CH:37]=[CH:36][C:35]([CH2:38][CH2:39][CH2:40][CH:41]=O)=[CH:34][CH:33]=1)(=[O:30])=[O:29]>>[CH2:1]([O:3][C:4](=[O:26])[CH2:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[NH:11][C:10]([C:15]1[CH:16]=[C:17]([CH3:22])[CH:18]=[C:19]([CH3:21])[CH:20]=1)=[C:9]2[CH2:23][CH2:24][NH:25][CH2:41][CH2:40][CH2:39][CH2:38][C:35]1[CH:36]=[CH:37][C:32]([NH:31][S:28]([CH3:27])(=[O:30])=[O:29])=[CH:33][CH:34]=1)[CH3:2]