HRID108612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID2723

4-Chloro-3,5-dimethylphenol

C8H9ClO

HCID30165

Iodide ion

I-

HCID3826051

未命名化合物

HCID20392594

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Oc1cc(C)c(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1

HCID12531855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87f93777d8194d1baa1665fb3e9b8a4b
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

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