HRID806631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID253533

4-Chlorobutyrophenone

C10H11ClO

结构：CC(C)(C)c1ccc(C(O)(c2ccccc2)C2CCNCC2)cc1

HCID21568357

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)c1ccc(C(O)(c2ccccc2)C2CCN(CCCC(=O)c3ccccc3)CC2)cc1

HCID21555732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-530f34c610904aa7967dc1ac8abbccf6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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