HRID1229578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID23938

Palladium

HCID282591

4-Bromo-1-naphthoic acid

C11H7BrO2

HCID2734381

2-Phenylvinylboronic acid

C8H9BO2

HCID66824255

未命名化合物

PRODUCTS

生成物

HCID10330854

1-Naphthalenecarboxylic acid, 4-formyl-, methyl ester

C13H10O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caa1a937e2804cf6a61e1b01c24078e0
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

[Br:23][c:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[c:31]([C:32]([OH:33])=[O:35])[cH:34][cH:36]1.[CH3:58][CH2:59][OH:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:72][OH:73].[CH3:74][OH:75].[CH:1](=[CH:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][cH:11][c:12]([C:19](=[O:20])[O:21][CH3:22])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12.[Cl:69][CH2:70][Cl:71].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[Pd:68].[S:37](=[O:38])(=[O:39])([OH:40])[OH:41].[c:42]1([CH:43]=[CH:44][B:45]([OH:46])[OH:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]([c:9]1[cH:10][cH:11][c:12]([C:19](=[O:20])[O:21][CH3:22])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12)=[O:35]