HRID107619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID338690

piperazine-2,6-dione

C4H6N2O2

HCID87234631

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1)c1ccc(F)cc1

HCID87235056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9959f4dc86c24be7a5aa5807c7de64ad
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

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