HRID1538487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID7187

Benzoyl peroxide

C14H10O4

HCID8081

1,3,5-Trioxane

C3H6O3

HCID8900

Heptane

C7H16

HCID2769351

4'-Fluoro-3,3,3',5,5-pentamethyl-2,3,4,5-tetrahydro-1,1'-biphenyl

C17H23F

PRODUCTS

生成物

结构：Cc1cc(C2=C(C=O)C(C)(C)CC(C)(C)C2)ccc1F

HCID9903643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43bcd361307243768d438fa1552de14d
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

[C:28]([O:29][O:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)(=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH2:22]1[O:23][CH2:24][O:25][CH2:26][O:27]1.[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH:19](=[O:20])[OH:21].[F:1][c:2]1[c:3]([CH3:18])[cH:4][c:5]([C:8]2=[CH:9][C:10]([CH3:16])([CH3:17])[CH2:11][C:12]([CH3:14])([CH3:15])[CH2:13]2)[cH:6][cH:7]1>>[F:1][c:2]1[c:3]([CH3:18])[cH:4][c:5]([C:8]2=[C:9]([CH:19]=[O:20])[C:10]([CH3:16])([CH3:17])[CH2:11][C:12]([CH3:14])([CH3:15])[CH2:13]2)[cH:6][cH:7]1