HRID167028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

结构：N#Cc1ccc(N2C3CCC2CC(NC(=O)CCCl)C3)c2ccccc12

HCID69226595

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：N#Cc1ccc(N2C3CCC2CC(NC(=O)CCn2ccnc2)C3)c2ccccc12

HCID69225904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19b9f07ae47f4f98999adcc298b77293
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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