HRID97023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

2 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：C=CCc1c(OS(=O)(=O)C(F)(F)F)ccc2cc(OC)ccc12

HCID20726847

未命名化合物

PRODUCTS

生成物

结构：C=CCc1c(-c2ccc(OC)cc2)ccc2cc(OC)ccc12

HCID22718010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c153a7b8d53747bcaa0bdd37f80a8e6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[F:21][C:22]([F:23])([F:24])[S:25]([O:26][c:27]1[c:28]([CH2:39][CH:40]=[CH2:41])[c:29]2[cH:30][cH:31][c:32]([O:37][CH3:38])[cH:33][c:34]2[cH:35][cH:36]1)(=[O:42])=[O:43].[K+:18].[K+:19].[K+:20].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:12].[OH2:44].[P:13]([O-:14])([O-:15])([O-:16])=[O:17]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:27]2[c:28]([CH2:39][CH:40]=[CH2:41])[c:29]3[cH:30][cH:31][c:32]([O:37][CH3:38])[cH:33][c:34]3[cH:35][cH:36]2)[cH:7][cH:8]1