HRID2124460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID7914

Isopropyl ether

C6H14O

HCID28179

Fluoride

F-

HCID18431633

未命名化合物

HCID18431635

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(Cc1ccccc1)C2O

HCID18314712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9aaec44af2a479b9b5703e4cff840ea
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

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