HRID289809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：COC(=O)c1ccc(-c2ccccc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

HCID66989922

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccccc2N(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

HCID66990621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be4b7d5207344016b40d4c7a13a3e601
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][c:11]1[c:12](-[c:17]2[cH:18][c:19]([N+:27](=[O:28])[O-:29])[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26]2)[cH:13][cH:14][cH:15][cH:16]1.[CH3:30][I:31].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[H-:1].[Na+:2].[OH2:50].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]([c:11]1[c:12](-[c:17]2[cH:18][c:19]([N+:27](=[O:28])[O-:29])[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26]2)[cH:13][cH:14][cH:15][cH:16]1)[CH3:33]