HRID2153526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID60993

2-Aminoethyldiethylamine

C6H16N2

反应SMILES：CCOC(=O)C1=C(C)NC(C=O)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-]

HCID13388352

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C1=C(C)NC(C=NCCN(CC)CC)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-]

HCID20277357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9c9e00a79b4e496a91324444760a6e7c
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

[CH2:29]([CH3:30])[N:31]([CH2:32][CH2:33][NH2:34])[CH2:35][CH3:36].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[c:14]([N+:19](=[O:20])[O-:21])[cH:15][cH:16][cH:17][cH:18]2)[C:5]([C:22](=[O:23])[O:24][CH2:25][CH3:26])=[C:4]([CH:27]=[O:28])[NH:3]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[c:14]([N+:19](=[O:20])[O-:21])[cH:15][cH:16][cH:17][cH:18]2)[C:5]([C:22](=[O:23])[O:24][CH2:25][CH3:26])=[C:4]([CH:27]=[N:34][CH2:33][CH2:32][N:31]([CH2:29][CH3:30])[CH2:35][CH3:36])[NH:3]1