HRID317125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID4992640

5-Formylpyridine-3-boronic acid pinacol ester

C12H16BNO3

结构：Clc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1

HCID86670613

未命名化合物

PRODUCTS

生成物

结构：O=Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1

HCID86670617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5837bcb8a1074d989583e600d87b8da1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][n:36][cH:37][c:38]([CH:39]=[O:40])[cH:41]2)[O:42]1.[Cl-:52].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:9]2[c:10]([NH:12][CH2:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[n:11]1.[Cl:49][CH2:50][Cl:51].[K+:47].[K+:48].[OH2:59]>>[c:2]1(-[c:34]2[cH:35][n:36][cH:37][c:38]([CH:39]=[O:40])[cH:41]2)[n:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:9]2[c:10]([NH:12][CH2:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[n:11]1