HRID1564653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

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

HCID53952747

Ethyl 4-bromopent-2-enoate

C7H11BrO2

PRODUCTS

生成物

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

HCID156921

Difenopenten-ethyl

C20H19F3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c5bca85bc944d559acdedd12006e2dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:35].[Br:19][CH:20]([CH:21]=[CH:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH3:28].[C:29](=[O:30])([O-:31])[O-:32].[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[Cl:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[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+:33].[K+:34].[OH2:51]>>[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])[O:25][CH2:26][CH3:27])[CH3:28])[cH:12][cH:13]2)[cH:15][cH:16]1)([F:17])[F:18]