HRID2340310

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)CCCCC#N)cc1

HCID67351445

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CC(C=Cc2ccccc2OCc2ccc(C(C)(C)C)cc2)CCCCC#N)cc1

HCID67353364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60c3b64105bd4a369462995143854cbf
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])[CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1)[CH:19]=[CH:20][c:21]1[c:22]([OH:27])[cH:23][cH:24][cH:25][cH:26]1.[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][cH:34][c:35]([CH2:36][Br:37])[cH:38][cH:39]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][C:47]#[N:48].[K+:44].[K+:45]>>[C:1](#[N:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1)[CH:19]=[CH:20][c:21]1[c:22]([O:27][CH2:36][c:35]2[cH:34][cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:39][cH:38]2)[cH:23][cH:24][cH:25][cH:26]1