HRID2336486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID144267

4-Bromo-2-methylbenzonitrile

C8H6BrN

结构：CC1(C)OB(c2ccc(-n3c(CC4CCN(C(=O)C5CC5)C4)n[nH]c3=O)c(F)c2)OC1(C)C

HCID178431077

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(-n3c(CC4CCN(C(=O)C5CC5)C4)n[nH]c3=O)c(F)c2)ccc1C#N

HCID77275873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c87386b5b5da413c9ce26f6afa3f00ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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