HRID111589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID229163

4-Methylnicotinic acid

C7H7NO2

HCID68971327

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(N(C(=O)c2cnccc2C)C2CCN(C(C)CC#N)CC2)cc1

HCID68974791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91113f93f86f46e6887627af08c22424
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

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