HRID681616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID735797

Methyl 4-chloro-3-nitrobenzoate

C8H6ClNO4

HCID11117539

1-[4-(3-Aminophenyl)piperazin-1-yl]ethan-1-one

C12H17N3O

PRODUCTS

生成物

结构：COC(=O)c1ccc(Nc2cccc(N3CCN(C(C)=O)CC3)c2)c([N+](=O)[O-])c1

HCID22741905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e160da0f9ee4d419f4465029d64645b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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