HRID1141973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID25134

Boron tribromide

BBr3

HCID30165

Iodide ion

I-

HCID81923

3,5-Heptanedione

C7H12O2

HCID10588171

Benzene, 1-(6-bromohexyl)-4-methoxy-

C13H19BrO

HCID10658781

未命名化合物

PRODUCTS

生成物

HCID514323

3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-

C19H28O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55132866485e4451913958e6e7474fd9
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

[B:30]([Br:31])([Br:32])[Br:33].[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]([Cl:52])[Cl:53].[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][Br:27])[cH:28][cH:29]1.[CH3:36][CH2:37][C:38]([CH2:39][C:40]([CH2:41][CH3:42])=[O:43])=[O:44].[CH3:54][C:55](=[O:56])[CH3:57].[I-:35].[K+:34].[K+:49].[K+:50].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:39]([C:38]([CH2:37][CH3:36])=[O:44])[C:40]([CH2:41][CH3:42])=[O:43])[cH:6][cH:7]1