HRID955763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID58072367

1-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C15H19BN2O2

结构：COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(Br)c1=O

HCID59436254

未命名化合物

PRODUCTS

生成物

结构：COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcb1cd13f5ed41aa94384ae6a516552f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[n:3][n:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:20][c:21]2[F:22])[O:15][C:16]([F:18])([F:19])[O:17]3)[cH:5][c:6]([O:9][CH3:10])[c:7]1=[O:8].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[K+:43].[K+:44].[Na+:61].[O-:45][C:46]([O-:47])=[O:48].[O-:57][C:58]([OH:59])=[O:60].[OH2:56].[c:23]1(-[n:29]2[n:30][cH:31][cH:32][c:33]2[B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[c:2]1(-[c:33]2[n:29](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[n:30][cH:31][cH:32]2)[n:3][n:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:20][c:21]2[F:22])[O:15][C:16]([F:18])([F:19])[O:17]3)[cH:5][c:6]([O:9][CH3:10])[c:7]1=[O:8]