HRID1212525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67067

N,N-Diethylpiperazine-1-carboxamide

C9H19N3O

结构：CC(c1ccc(-c2ccccc2)c(F)c1)c1nc(CCl)no1

HCID13690941

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)N1CCN(Cc2noc(C(C)c3ccc(-c4ccccc4)c(F)c3)n2)CC1

HCID13690989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-220e759fb1824c06b170f21a72d8d1ef
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

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