HRID159697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID135

4-Hydroxybenzoic acid

C7H6O3

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID7503

Benzyl chloride

C7H7Cl

HCID7681

N,N-Dimethylbenzylamine

C9H13N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID73880

4-Benzyloxybenzoic acid

C14H12O3

PRODUCTS

生成物

HCID91863

Benzyl p-(benzyloxy)benzoate

C21H18O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bda14e56ba154c6092d60a3afc1812cd
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

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