HRID1205044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID220632

3-bromo-1,1,1-trifluoropropan-2-ol

C3H4BrF3O

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2nc(C)nn12

HCID136041272

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(CC(O)C(F)(F)F)c2nc(C)nn12

HCID67008769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56cfb341c1094b5387c8958196bb3fa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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