HRID1149463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID5462224

Magnesium

HCID14495772

4-[2-(4-Propylcyclohexyl)ethyl]cyclohexan-1-one

C17H30O

HCID53414983

1-Bromo-2-chloro-4-ethoxy-3-fluorobenzene

C8H7BrClFO

PRODUCTS

生成物

结构：CCCC1CCC(CCC2CCC(O)(c3ccc(OCC)c(F)c3Cl)CC2)CC1

HCID59257114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88c475574b3347a0ba8ee9e164e6da30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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