HRID316994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1390

1-Methylimidazole

C4H6N2

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID72871

3-Benzoylpropionic acid

C10H10O3

结构：CCc1csc(C(N)Cc2ccc([N+](=O)[O-])cc2)n1

HCID66694979

未命名化合物

PRODUCTS

生成物

结构：CCc1csc(C(Cc2ccc([N+](=O)[O-])cc2)NC(=O)CCC(=O)c2ccccc2)n1

HCID66694966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08c8b2fc5a0745f48f91f8f23fec5b9a
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[CH2:9][CH2:10][C:11](=[O:12])[OH:13].[CH2:31]([CH3:32])[c:33]1[n:34][c:35]([CH:38]([CH2:39][c:40]2[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]2)[NH2:49])[s:36][cH:37]1.[CH3:14][n:15]1[cH:16][cH:17][n:18][cH:19]1.[Cl:50][CH2:51][Cl:52].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([Cl:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[CH2:9][CH2:10][C:11](=[O:13])[NH:49][CH:38]([c:35]1[n:34][c:33]([CH2:31][CH3:32])[cH:37][s:36]1)[CH2:39][c:40]1[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]1