查数据/反应详情

HRID193428

反应详情

EQUATION

反应方程式

HRID 193428 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)C(O)C(=O)O

Butanoic acid, 2-hydroxy-3,3-dimethyl-

C6H12O3

结构：CCCC(N)C(=O)Nc1cn(C(C)(C)C(=O)OC)cn1

未命名化合物

PRODUCTS

生成物

1

结构：CCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1cn(C(C)(C)C(=O)OC)cn1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ebeb8c2e8be41f8ac7f95b17d911249
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[n:7]1[cH:8][n:9][c:10]([NH:12][C:13]([CH:14]([CH2:15][CH2:16][CH3:17])[NH2:18])=[O:19])[cH:11]1)=[O:20].[OH:21][CH:22]([C:23](=[O:24])[OH:25])[C:26]([CH3:27])([CH3:28])[CH3:29]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[n:7]1[cH:8][n:9][c:10]([NH:12][C:13]([CH:14]([CH2:15][CH2:16][CH3:17])[NH:18][C:23]([CH:22]([OH:21])[C:26]([CH3:27])([CH3:28])[CH3:29])=[O:24])=[O:19])[cH:11]1)=[O:20]

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