HRID2147046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID7914

Isopropyl ether

C6H14O

HCID8058

n-Hexane

C6H14

HCID23925

Iron

结构：CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

HCID10668494

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)cc2)c2ccccc21

HCID10499200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9435932e8d69477db3c9acf19e0d9197
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

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