HRID122512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID90290

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

结构：CCCCCCCc1ccc(C(=O)C=CC2(C)C(C)=C(C)C(C(=O)OC(C)(C)C)=C(C)C2OC)cc1

HCID66704535

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCc1ccc(C(=O)C=CC2(C)C(C)=C(C)C(C(=O)O)=C(C)C2OC)cc1

HCID66704327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49f5d52c288c43a89c12a0321d329790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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