HRID177397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID66773

2-Chloro-N-methylacetamide

C3H6ClNO

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cc(F)c(C(OC)C(=O)NCc2ccc(C#N)cc2O)c(F)c1

HCID21905527

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)COc1cc(C#N)ccc1CNC(=O)C(OC)c1c(F)cc(OC)cc1F

HCID21905466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a64cb5d6e1b4e4ab1b2998e98bd239b
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

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