HRID312782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID14014310

1-Cyanoethyl 4-methylbenzene-1-sulfonate

C10H11NO3S

结构：N#Cc1ccc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1F

HCID57442195

未命名化合物

PRODUCTS

生成物

结构：CC(C#N)n1cc(-c2ccc(C#N)c(F)c2)c2ccc([N+](=O)[O-])cc21

HCID67100646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5863cafb296042dca131ea73bc44c5e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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