HRID2313129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID78485

N-Methylisopropylamine

C4H11N

结构：Cc1ccc(C(=O)NC2CCC2)cc1-n1cc(C)c2ccc(OCCCl)cc2c1=O

HCID67018554

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CCC2)cc1-n1cc(C)c2ccc(OCCN(C)C(C)C)cc2c1=O

HCID11712334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89c6ff6ec18b4cb9b1d5d451961d5b69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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