HRID674383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

4 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4997588

3-bromo-5-nitropyridin-4-amine

C5H4BrN3O2

HCID79673114

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2cc(F)cc(-c3cncc([N+](=O)[O-])c3N)c2)CC1

HCID86701071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-398cb38b39e84a0cae1ff33984149dd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH2:8][N:9]([CH3:12])[CH2:10][CH2:11]2)[cH:13][c:14]([F:16])[cH:15]1.[Br:30][c:31]1[cH:32][n:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[c:36]1[NH2:37].[K+:21].[K+:27].[K+:28].[K+:29].[O-:17][C:18]([CH3:19])=[O:20].[O:119]=[CH:120][N:121]([CH3:122])[CH3:123].[OH2:118].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1(-[c:31]2[cH:32][n:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[c:36]2[NH2:37])[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH2:8][N:9]([CH3:12])[CH2:10][CH2:11]2)[cH:13][c:14]([F:16])[cH:15]1