HRID684048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID18354439

未命名化合物

HCID68979181

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CN(C)C(=O)c1cc(C#N)cc2c1CCC2)c1ccc(F)cc1

HCID178446395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ed4abb5f9c140fdaed36c821a84049a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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