HRID1571417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21642

1-Bromopinacolone

C6H11BrO

HCID4574913

未命名化合物

结构：COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c1cc(O)n(-c2ccccc2)n1

HCID178500445

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2)n1

HCID178500441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-516492b4c79a487c9c7f1c956dc457e9
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

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