HRID2124209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID12531340

Methyl 1-bromocyclopentane-1-carboxylate

C7H11BrO2

结构：CCCc1nc(CC)n(-c2ccc(O)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460841

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CC)n(-c2ccc(OC3(C(=O)OC)CCCC3)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b846d4ad2aaf4187b4edcfc4ff736896
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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