HRID1206289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2764053

6-Chloronicotinaldehyde

C6H4ClNO

结构：CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(OC(F)(F)F)cc2)cc1

HCID59643426

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C=O)cn2)cc1

HCID59643273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa9eae57a0c44e7ca79d739f7e456ee3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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