HRID86834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID3698726

4-Isopropoxyphenylboronic acid

C9H13BO3

结构：CCCc1nc(CC)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460066

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CC)c(-c2ccc(OC(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2e8659bef9744d78241baa146a6c690
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:14][c:15]1[c:16]([CH2:40][CH3:41])[n:17][c:18]([CH2:37][CH2:38][CH3:39])[n:19]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:20]1=[O:21].[C:48](=[O:49])([O-:50])[O-:51].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[Cs+:52].[Cs+:53]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8](-[c:15]2[c:16]([CH2:40][CH3:41])[n:17][c:18]([CH2:37][CH2:38][CH3:39])[n:19]([CH2:22][c:23]3[cH:24][cH:25][c:26](-[c:29]4[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]4)[cH:27][cH:28]3)[c:20]2=[O:21])[cH:9][cH:10]1