HRID185028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID86996

Benzonitrile, 4-(bromomethyl)-

C8H6BrN

HCID104967

Cesium(1+)

Cs+

2 次

HCID66669626

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(CN(C2CCCC2CO)S(=O)(=O)c2ccc(Cl)cc2)cc1

HCID67313770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7be425ca79b475394d9f5ce648dde55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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