HRID2325651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID16217713

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

C11H19BN2O2

HCID67388009

未命名化合物

PRODUCTS

生成物

结构：Cc1n[nH]c(C)c1-c1cnc(N)c(-c2nc3ccccc3o2)c1

HCID67388288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea72b9b19a394937a83a94e6051b62ef
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

[CH3:20][c:21]1[n:22][nH:23][c:24]([CH3:35])[c:25]1[B:26]1[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]1.[CH3:36][OH:37].[Cs+:2].[F-:1].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[o:3]1[c:4](-[c:12]2[c:13]([NH2:19])[n:14][cH:15][c:16]([Br:18])[cH:17]2)[n:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2>>[o:3]1[c:4](-[c:12]2[c:13]([NH2:19])[n:14][cH:15][c:16](-[c:25]3[c:21]([CH3:20])[n:22][nH:23][c:24]3[CH3:35])[cH:17]2)[n:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2