HRID285862

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

HCID87836

1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene

C11H15Br

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=Cc2ccccc2OCc2ccc(C(C)(C)C)cc2)CCc2ccc(C#N)cc2)cc1

HCID67350864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bc8d87434824539862ee13853d328cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([CH2:40][Br:41])[cH:42][cH:43]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51]#[N:52].[K+:48].[K+:49]>>[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][CH2:40][c:39]3[cH:38][cH:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:43][cH:42]3)[cH:27][cH:28][cH:29][cH:30]2)[cH:7][cH:8]1