HRID300332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID351291

5-Nitroindole-2-carboxylic acid

C9H6N2O4

HCID15234936

3-Amino-2,3-dihydro-2,2-dimethyl-1H-indene-5-carbonitrile

C12H14N2

PRODUCTS

生成物

结构：CC1(C)Cc2ccc(C#N)cc2C1NC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

HCID67081581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-765fef40f4b143e4935bc72b066a3374
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:30][N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[cH:7][c:8]([C:13](=[O:14])[OH:15])[nH:9][c:10]2[cH:11][cH:12]1.[NH2:16][CH:17]1[C:18]([CH3:28])([CH3:29])[CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26]#[N:27])[cH:24][c:25]21.[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[cH:7][c:8]([C:13](=[O:15])[NH:16][CH:17]3[C:18]([CH3:28])([CH3:29])[CH2:19][c:20]4[cH:21][cH:22][c:23]([C:26]#[N:27])[cH:24][c:25]43)[nH:9][c:10]2[cH:11][cH:12]1