HRID802788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COC(=O)c1c(C#N)cc(Cl)nc1Nc1cccc(C)c1

HCID58317587

未命名化合物

HCID86731706

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCC(CNc1cc(C#N)c(C(=O)OC)c(Nc2cccc(C)c2)n1)NC(=O)OC(C)(C)C

HCID67238774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-165d2afeee134768905a43b6b1066143
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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