HRID2146335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2773987

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

C10H17BN2O2

HCID86641686

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cc(Oc3c(F)cc(N)cc3F)ccn2)cn1

HCID68664442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7332f2898172429db371e137adf63c2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:18][n:19]1[n:20][cH:21][c:22]([B:24]2[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]2)[cH:23]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([F:17])[cH:11][c:12]([NH2:13])[cH:14][c:15]2[F:16])[cH:7]1.[K+:38].[K+:39].[K+:40].[OH2:46].[P:33]([O-:34])([O-:35])([O-:36])=[O:37].[Pd:47].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:2]1(-[c:22]2[cH:21][n:20][n:19]([CH3:18])[cH:23]2)[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([F:17])[cH:11][c:12]([NH2:13])[cH:14][c:15]2[F:16])[cH:7]1