HRID1572645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1

HCID2734212

未命名化合物

HCID53399257

5-Bromo-1H-indole-7-carboxylic acid

C9H6BrNO2

PRODUCTS

生成物

HCID54582474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26727b8c4e8f4790aa6a4992eeb8259d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:30][c:31]1[cH:32][c:33]([CH3:34])[cH:35][c:36]([CH3:37])[c:38]1-[n+:39]1[cH:40][cH:41][n:42](-[c:43]2[c:44]([CH3:45])[cH:46][c:47]([CH3:48])[cH:49][c:50]2[CH3:51])[cH:52]1.[Cl-:29].[Cs+:27].[Cs+:28].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[OH:14][B:15]([OH:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[c:2]1(-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1