HRID1539962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COC(=O)C=Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)O2

HCID66932323

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1cc(C=CC(=O)O)ccc1O2

HCID66932356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a698104425074db9a0aa99bec65d5982
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11](=[O:27])[NH:12][C:13]1([O:14]2)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]1)=[O:29].[Na+:31].[OH-:30].[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]>>[O:2]=[C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11](=[O:27])[NH:12][C:13]1([O:14]2)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]1)[OH:29]