HRID691013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID100115

未命名化合物

HCID2756431

4-Amino-3-fluorobenzonitrile

C7H5FN2

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1F

HCID178449679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9357e920dcc492abc111da5429312b3
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

[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[Cl:48][CH2:49][Cl:50].[NH2:32][c:33]1[c:34]([F:41])[cH:35][c:36]([C:37]#[N:38])[cH:39][cH:40]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[OH:22])[CH:23]([CH3:24])[CH3:25])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:22])[NH:32][c:33]1[c:34]([F:41])[cH:35][c:36]([C:37]#[N:38])[cH:39][cH:40]1)[CH:23]([CH3:24])[CH3:25])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1