HRID1236836

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

HCID11780954

未命名化合物

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(C)(C)CO[Si](C)(C)C(C)(C)C)c2nc(C)nn12

HCID67009014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44a3b1fc36cd4ba19f612f3cf9d5662e
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][C:32]([CH2:33][O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])[CH3:43].[C:44](=[O:45])([O-:46])[O-:47].[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.[CH3:50][N:51]([CH3:52])[C:53](=[O:54])[CH3:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cs+:48].[Cs+:49]>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:31][C:32]([CH2:33][O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])[CH3:43])[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