HRID2332258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID41092

2,3,4,5-Tetramethylcyclopent-2-en-1-one

C9H14O

HCID615284

2-(2-Bromophenyl)-2-methyl-1,3-dioxolane

C10H11BrO2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC1=C(C)C(O)(c2ccccc2C2(C)OCCO2)C(C)C1C

HCID23016225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de6e0bc4b2924430ba01ef774a9db863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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