HRID1540382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)C1=Cc2cc(Cl)c(C(C)(C)C)cc2OC1C(F)(F)F

HCID21883510

未命名化合物

HCID178421690

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=Cc2cc(C)c(C(C)(C)C)cc2OC1C(F)(F)F

HCID69517309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ed12539ef34331a7b0dfa18b013a44
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:24])[cH:7][c:8]2[c:13]([cH:14]1)[O:12][CH:11]([C:15]([F:16])([F:17])[F:18])[C:10]([C:19](=[O:20])[O:21][CH2:22][CH3:23])=[CH:9]2.[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][C:32]1=[CH:39][BH:38][O:37][C:35]([CH3:36])=[C:33]1[CH3:34].[CH3:41][O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Cs+:29].[Cs+:30].[OH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([CH3:25])[cH:7][c:8]2[c:13]([cH:14]1)[O:12][CH:11]([C:15]([F:16])([F:17])[F:18])[C:10]([C:19](=[O:20])[O:21][CH2:22][CH3:23])=[CH:9]2