HRID2161868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：Cc1cc(NC(=O)OC(C)(C)C)nc(NS(=O)(=O)c2sc(Br)nc2C)c1

HCID58838506

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)OC(C)(C)C)nc(NS(=O)(=O)c2sc(-c3ccc(C#N)cc3)nc2C)c1

HCID71045661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e27b6e5a04ce461987bf0a36df77bde8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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