HRID1206695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

结构：CCOC(=O)C(C(C)C)N1CCN(Cc2ccc(O)cc2)C1=O

HCID68541940

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(C)C)N1CCN(Cc2ccc(OCc3ccncc3)cc2)C1=O

HCID68538692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe9316683b5d462c85ff77158197c31b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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