HRID1236520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3826055

4-Fluoro-2-methylbenzonitrile

C8H6FN

HCID21994188

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CC(C)N(Cc3ccccc3)CC2C)ccc1C#N

HCID77540028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaa43125902a43fbbdc45351f601c108
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

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