HRID89217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(Br)cc3)C2)cc1

HCID44442960

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(-c4ccncc4)cc3)C2)cc1

HCID44442984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c777c660f0324b6bbd5538d627d7fbe0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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