HRID120699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCCc1nc(C)n(-c2ccc(O)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460928

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(-c2ccc(OC(C)(C)C(=O)OCC)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5a7ddd40bd64188a4e2338ab26588e8
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

[Br:35][C:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])([CH3:42])[CH3:43].[C:44](=[O:45])([O-:46])[O-:47].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:34])[n:8](-[c:27]2[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:50][C:51]([N:52]([CH3:53])[CH3:54])=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cs+:48].[Cs+:49]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:34])[n:8](-[c:27]2[cH:28][cH:29][c:30]([O:33][C:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])([CH3:42])[CH3:43])[cH:31][cH:32]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1