HRID671874

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：CCNC(=O)c1ccc(C)c(-n2cc(C)c3ccc(OCCCl)cc3c2=O)c1

HCID67018583

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(C)c(-n2cc(C)c3ccc(OCCN(C)C(C)C)cc3c2=O)c1

HCID11690636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb4b3279a47f42009d16b5a29ad4d408
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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