HRID300003

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

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCCc1nc(C)n(-c2cccc(O)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460522

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(-c2cccc(OCCOC)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d984f6de59b54063916646c17d180fe8
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

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