HRID105528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID12769

2,3,5-Trimethylphenol

C9H12O

HCID3629334

4-bromo-2,3,5-trimethylphenol

C9H11BrO

HCID14042756

2-Bromo-1-[4-(propan-2-yl)phenyl]ethan-1-one

C11H13BrO

PRODUCTS

生成物

结构：Cc1cc(OCC(=O)c2ccc(C(C)C)cc2)c(C)c(C)c1Br

HCID23114325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e0f8b14f7ca4a319ae6d43431d9f199
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:11][c:12]1[c:13]([CH3:21])[c:14]([CH3:20])[c:15]([OH:19])[cH:16][c:17]1[CH3:18].[Br:22][CH2:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([CH:32]([CH3:33])[CH3:34])[cH:30][cH:31]1.[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:1][c:2]1[cH:3][c:4]([OH:5])[c:6]([CH3:7])[c:8]([CH3:9])[cH:10]1.[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40]>>[Br:11][c:12]1[c:13]([CH3:21])[c:14]([CH3:20])[c:15]([O:19][CH2:23][C:24](=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH:32]([CH3:33])[CH3:34])[cH:30][cH:31]2)[cH:16][c:17]1[CH3:18]