HRID803908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID30165

Iodide ion

I-

HCID2723694

4'-Tert-butyl-4-chlorobutyrophenone

C14H19ClO

HCID21568361

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(C(O)(c2ccccc2)C2CCN(CCCC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1

HCID21568343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8baf17cdbfb4924b05ddb0a3bbdb591
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:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29]([C:32]([CH2:33][CH2:34][CH2:35][Cl:36])=[O:37])[cH:30][cH:31]1.[C:38](=[O:39])([OH:40])[O-:41].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[I-:44].[K+:42].[K+:43].[OH2:52].[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]([CH3:21])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:36].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:35][CH2:34][CH2:33][C:32]([c:29]3[cH:28][cH:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:31][cH:30]3)=[O:37])[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1