HRID2321526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID170230

4-[(4-Trifluoromethylphenyl)oxy]phenol

C13H9F3O2

HCID13309632

2-{[(4-Chlorophenyl)methyl]sulfanyl}ethyl 2-bromopropanoate

C12H14BrClO2S

PRODUCTS

生成物

结构：CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)OCCSCc1ccc(Cl)cc1

HCID13309605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-486032809f0c4e56abf65091f384a83a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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