HRID284104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

结构：CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O

HCID2449

(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid

C22H26O4

HCID7454

Ethanone, 2-bromo-1-(4-bromophenyl)-

C8H6Br2O

HCID19660

Carbonate

CO3-2

PRODUCTS

生成物

结构：CC1=C(C)C(=O)C(C(CCCCCC(=O)OCC(=O)c2ccc(Br)cc2)c2ccccc2)=C(C)C1=O

HCID178426852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45ce36e9af924d7184219e9b7c52853b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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