HRID123764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID76335

3,3-Dimethylbutyraldehyde

C6H12O

HCID2724942

未命名化合物

结构：CCCCc1ccc(C#Cc2ccc(CNc3ccc(F)c(C(=O)OC)c3)cc2)cc1

HCID11452740

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(CCC(C)(C)C)c3ccc(F)c(C(=O)OC)c3)cc2)cc1

HCID67170689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-506b7fbe56b144a897dcc9cc69b33fe2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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