HRID138623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID58317587

未命名化合物

HCID67238751

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C#N)cc(NC2CCCC(F)(F)C2N)nc1Nc1cccc(C)c1

HCID67237561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157e72d756e84c04a77046ef78d7ee17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[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.[ClH:22].[F:23][C:24]1([F:32])[CH:25]([NH2:31])[CH:26]([NH2:30])[CH2:27][CH2:28][CH2:29]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[c:2]1([NH:30][CH:26]2[CH:25]([NH2:31])[C:24]([F:23])([F:32])[CH2:29][CH2:28][CH2:27]2)[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