HRID203639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID100949

1-(2-Nitrophenyl)piperazine

C10H13N3O2

HCID572875

(3,5-Dimethyl-pyrazol-1-yl)-acetic acid

C7H10N2O2

HCID5250894

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1

HCID27007991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2583c090c3404dca9dc2325b7cbbc70c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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