HRID135285

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

HCID44754864

{6-[(Propan-2-yl)oxy]pyridin-3-yl}boronic acid

C8H12BNO3

结构：CCCc1nc(C)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57460968

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)c(-c2ccc(OC(C)C)nc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57461027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-644e7617815940b8a980e433ac449127
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:28])[n:4][c:5]([CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[c:11]([F:24])[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:42](=[O:43])([O-:44])[O-:45].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:29]([CH3:30])([CH3:31])[O:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][n:38]1.[Cs+:46].[Cs+:47]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([O:32][CH:29]([CH3:30])[CH3:31])[n:38][cH:37]2)[c:3]([CH3:28])[n:4][c:5]([CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[c:11]([F:24])[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]