HRID2130993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21185404

未命名化合物

HCID54272913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(F)=CCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Cl)cc1

HCID54542568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d37b1e5c699c4b3cbe22c0eca8b76b60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][CH2:2][CH:3]=[C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[F:15].[C:16](=[O:17])([O-:18])[O-:19].[CH2:45]([Cl:46])[Cl:47].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][OH:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[F:22][c:23]1[c:24]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[K+:20].[K+:21]>>[CH2:2]([CH:3]=[C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[F:15])[c:26]1[cH:25][c:24]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:23]([F:22])[cH:28][cH:27]1