HRID2350785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

结构：Cc1c(Br)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID57799427

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID57799361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a0555604244712a21f472ac0a5443b
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:1][c:2]1[c:3](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:4][c:5]2[n:6]([c:7]1[CH3:8])[c:9](=[O:23])[n:10]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2.[Cl:31][c:32]1[c:33]([B:38]([OH:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]1.[K+:46].[K+:47].[K+:48].[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[c:2]1(-[c:33]2[c:32]([Cl:31])[cH:37][cH:36][cH:35][cH:34]2)[c:3](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:4][c:5]2[n:6]([c:7]1[CH3:8])[c:9](=[O:23])[n:10]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2