HRID1122615

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

HCID43297227

(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid

C9H11BO3

结构：CCCCc1nc(C2CC2)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460090

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C2CC2)c(-c2ccc3c(c2)CC(C)O3)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ed270bba63b42c2a2c73de772fa63aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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