HRID672628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID784

Hydrogen peroxide

H2O2

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID23077318

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCc1ccc(-c2ccc3cc(O)c(F)c(F)c3c2F)cc1

HCID23077313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-733e7cabe8964a90b598a456e84c092b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:12]([CH2:13][CH3:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22]([F:33])[c:23]3[c:24]([F:32])[c:25]([F:31])[cH:26][cH:27][c:28]3[cH:29][cH:30]2)[cH:19][cH:20]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH3:34][I:35].[CH3:39][C:40](=[O:41])[OH:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:38].[OH:36][OH:37]>>[CH2:12]([CH2:13][CH3:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22]([F:33])[c:23]3[c:24]([F:32])[c:25]([F:31])[c:26]([OH:36])[cH:27][c:28]3[cH:29][cH:30]2)[cH:19][cH:20]1