HRID110399

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

HCID104967

Cesium(1+)

Cs+

2 次

HCID21696959

未命名化合物

HCID21697043

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)c1cccc(Oc2cc(C(C)(O)c3cncn3C)ccc2C#N)c1)c1ccccc1

HCID9825789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30353fb100934a81b2377fe5bc4cdeaf
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

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