HRID1181698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID28504

Indole-5-carbonitrile, 3-formyl-

C10H6N2O

HCID14173855

1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-, methyl ester

C8H9NO3

HCID19356084

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(C#N)cc23)n(C)c1

HCID58981032

未命名化合物

PROCEDURE

实验过程

This compound was made following the procedure described above, starting with 6-hydrazino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione, and condensing first with 3-formyl-1H-indole-5-carbonitrile, followed by methyl 5-formyl-1-methyl-1H-pyrrole-3-carboxylate. Mass: 514.05 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89b5d99073b54ef29d8e7af30a8a63f2
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07285558B2
来源说明: uspto-grants-2007_10

反应 SMILES

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