HRID143694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID2734648

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H16BNO2

结构：Cc1cc(-c2ccc(Cl)cc2)c(Br)c2nn(Cc3ccc(C#N)cn3)c(=O)n12

HCID57799388

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(Cl)cc2)c(-c2ccncc2)c2nn(Cc3ccc(C#N)cn3)c(=O)n12

HCID57799416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5eec8e2db59f49539095837a6d0dc9e3
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]2[n:4]([c:5]([CH3:15])[cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:16](=[O:28])[n:17]([CH2:19][c:20]1[n:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]1)[n:18]2.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][n:40][cH:41][cH:42]2)[O:43]1.[Cl:44][CH2:45][Cl:46].[K+:52].[K+:53].[K+:54].[P:47]([O-:48])([O-:49])([O-:50])=[O:51]>>[c:2]1(-[c:37]2[cH:38][cH:39][n:40][cH:41][cH:42]2)[c:3]2[n:4]([c:5]([CH3:15])[cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:16](=[O:28])[n:17]([CH2:19][c:20]1[n:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]1)[n:18]2