查数据/反应详情

HRID1149097

反应详情

EQUATION

反应方程式

HRID 1149097 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)OC(=O)C(C)(C)Br

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

结构：CCOC(=O)C(Cc1ccc(OCC(=O)OC(C)(C)C)cc1)OC

未命名化合物

PRODUCTS

生成物

1

结构：CCOC(=O)C(Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1)OC

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb76f615eeea4448bff2d724d8d6d900
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

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

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