HRID166374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID5151595

2-Chloro-4-pyridylboronic acid

C5H5BClNO2

结构：Ic1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccnc(OC3CCOCC3)c12

HCID66826813

未命名化合物

PRODUCTS

生成物

结构：Clc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccnc(OC4CCOCC4)c23)ccn1

HCID86673696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-767728baf918410c9459d03acf4a89e7
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

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