HRID2346869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID580349

5-Bromo-1,1,1-trifluoropentane

C5H8BrF3

结构：COC(=O)c1ccc(CC(C=Cc2ccccc2O)CCc2ccc(C#N)cc2)cc1

HCID67353032

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CC(C=Cc2ccccc2OCCCCC(F)(F)F)CCc2ccc(C#N)cc2)cc1

HCID68660740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5fbb23a82d04e30bcfe2f8dbcaffb7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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