HRID192027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID53217129

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BClNO2

HCID57387170

未命名化合物

PRODUCTS

生成物

结构：CC1=NC2(N=C1N)c1cc(-c3cc(Cl)cc(C#N)c3)ccc1CC21CC1

HCID57387171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cbb54107dd84388b6b1fb9ceca03c59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([cH:12]1)[C:10]1([C:7]3([CH2:6]2)[CH2:8][CH2:9]3)[N:13]=[C:14]([CH3:18])[C:15]([NH2:17])=[N:16]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:19][c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][c:26]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:27]1.[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42]>>[c:2]1(-[c:26]2[cH:25][c:22]([C:23]#[N:24])[cH:21][c:20]([Cl:19])[cH:27]2)[cH:3][cH:4][c:5]2[c:11]([cH:12]1)[C:10]1([C:7]3([CH2:6]2)[CH2:8][CH2:9]3)[N:13]=[C:14]([CH3:18])[C:15]([NH2:17])=[N:16]1