HRID1132388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7964

Chlorobenzene

C6H5Cl

HCID19660

Carbonate

CO3-2

HCID44528

1-Butanaminium, N,N-dibutyl-N-ethyl-

C14H32N+

HCID170230

4-[(4-Trifluoromethylphenyl)oxy]phenol

C13H9F3O2

HCID73653546

未命名化合物

PRODUCTS

生成物

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

HCID157794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e31063da1f054179ab60408beea8dc44
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

[Br-:33].[Br:19][CH:20]([CH:21]=[CH:22][C:23](=[O:24])[O-:25])[CH3:26].[C:27](=[O:28])([O-:29])[O-:30].[CH2:34]([N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[Cl:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[ClH:49].[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+:31].[K+:32].[OH2:50]>>[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:20]([CH:21]=[CH:22][C:23](=[O:24])[OH:25])[CH3:26])[cH:12][cH:13]2)[cH:15][cH:16]1)([F:17])[F:18]