HRID2337810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773253

2-Benzyloxyphenylboronic acid

C13H13BO3

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID11175076

Methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C16H18BrNO2

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3OCc3ccccc3)[nH]c2c1

HCID67225298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53761d7fb06c43d4ad2b50630fe0de2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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