HRID1147526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID231754

3-ethoxy-2,2-dimethyl-3-oxopropanoic acid

C7H12O4

结构：NC1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21

HCID178508110

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)C(=O)NC1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21

HCID178471517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91903c6d1b6c48d9a6a19e68035bb4ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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