HRID1563707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8421

Benzeneethanamine, 3,4-dimethoxy-

C10H15NO2

HCID498716

未命名化合物

HCID14025476

4-[5-Methoxy-2-(phenylethynyl)phenyl]butan-2-one

C19H18O2

PRODUCTS

生成物

结构：COc1ccc(C#Cc2ccccc2)c(CCC(C)NCCc2ccc(OC)c(OC)c2)c1

HCID9980864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613b3b197ac84f7aab817e8fc5dc1016
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:35]([BH3-:36])#[N:37].[CH2:22]([CH2:23][c:24]1[cH:25][c:26]([O:27][CH3:28])[c:29]([O:30][CH3:31])[cH:32][cH:33]1)[NH2:34].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:7]([CH2:9][CH2:10][C:11]([CH3:12])=[O:13])[cH:8]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][OH:44].[Na+:38]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:7]([CH2:9][CH2:10][CH:11]([CH3:12])[NH:34][CH2:22][CH2:23][c:24]2[cH:25][c:26]([O:27][CH3:28])[c:29]([O:30][CH3:31])[cH:32][cH:33]2)[cH:8]1