HRID94418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID8078

Cyclohexane

C6H12

HCID8572

2,4-Dihydroxybenzophenone

C13H10O3

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

PRODUCTS

生成物

HCID22010460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5901a75bbf74050915c360bc396b3b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:34].[C:26](=[O:27])([O-:28])[O-:29].[CH2:52]([C:53]([CH3:54])=[O:55])[CH3:56].[CH2:63]1[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[CH3:35][CH2:36][CH2:37][CH2:38][N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:18][CH2:19][c:20]1[cH:21][n:22][cH:23][cH:24][cH:25]1.[ClH:17].[I-:33].[K+:30].[K+:31].[K+:32].[OH:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13][c:14]([OH:16])[cH:15]1>>[OH:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13][c:14]([O:16][CH2:19][c:20]2[cH:21][n:22][cH:23][cH:24][cH:25]2)[cH:15]1