HRID664382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID4374257

3,5-Dimethoxyphenylboronic acid

C8H11BO4

HCID59292860

5-Bromoquinoline-8-carboxylic acid

C10H6BrNO2

PRODUCTS

生成物

结构：COc1cc(OC)cc(-c2ccc(C(=O)O)c3ncccc23)c1

HCID59292876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c88262aab2f64cbfbac263bf3c71c29c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:14][c:15]1[c:16]2[cH:17][cH:18][cH:19][n:20][c:21]2[c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:1][O:2][c:3]1[cH:4][c:5]([B:11]([OH:12])[OH:13])[cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:36][CH2:37][OH:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Na+:32].[Na+:33].[Na+:35].[OH-:34].[OH2:52]>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:15]2[c:16]3[cH:17][cH:18][cH:19][n:20][c:21]3[c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1