HRID2126102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID90563

4-Nitroindan-1-one

C9H7NO3

HCID3544884

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccncc1)c1cccn(C2CCc3c2cccc3[N+](=O)[O-])c1=O

HCID49803866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7df941724ca54f428ea76672fa4143ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[N+:17](=[O:18])([O-:19])[c:20]1[c:21]2[c:25]([cH:26][cH:27][cH:28]1)[C:24](=[O:29])[CH2:23][CH2:22]2.[O:1]=[c:2]1[nH:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1.[O:49]=[C:50]([O:51][CH:52]([CH3:53])[CH3:54])[N:55]=[N:56][C:57]([O:58][CH:59]([CH3:60])[CH3:61])=[O:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[O:1]=[c:2]1[n:3]([CH:24]2[CH2:23][CH2:22][c:21]3[c:20]([N+:17](=[O:18])[O-:19])[cH:28][cH:27][cH:26][c:25]32)[cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1