HRID139818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(CC(C(O)CCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[N+](=O)[O-])cc1OC

HCID13745754

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(C(CCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)OC(C)=O)[N+](=O)[O-])cc1OC

HCID13745755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cdbe02af87d42f9906dc7203e8a9ae9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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