HRID691964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID9732

4-Fluorophenol

C6H5FO

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCBr)Cc2ccc(C#N)cc2)cc1

HCID68660934

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCOc2ccc(F)cc2)Cc2ccc(C#N)cc2)cc1

HCID68660953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f4b0cf6375a44e49d98eba5c09dfd49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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