HRID2147447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(-c3ccc(C#N)cc3)cc2)C(N)=O)CCOCC1

HCID68427965

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)CCOCC1

HCID68429639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bc3a8d3221e44548a50208133acf776
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:19][C:20](=[O:21])[C:22]1([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1)=[O:36].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[N:1]#[C:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:19][C:20](=[O:21])[C:22]1([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1