HRID112950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2773987

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

C10H17BN2O2

HCID4060964

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(OS(=O)(=O)C(F)(F)F)cn2nccc12

HCID86657056

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cc(NC(=O)OC(C)(C)C)c3ccnn3c2)cn1

HCID58404864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f2f4fa8a7904a559d60cf9bc8153dbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:43]([F:44])([F:45])([F:46])[F:47].[C:48]([PH+:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])([CH3:58])([CH3:59])[CH3:60].[CH3:26][n:27]1[n:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[F-:41].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]([NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[c:10]2[n:11]([cH:12]1)[n:13][cH:14][cH:15]2)(=[O:24])=[O:25].[K+:42].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:72].[Pd:73]>>[c:7]1(-[c:30]2[cH:29][n:28][n:27]([CH3:26])[cH:31]2)[cH:8][c:9]([NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[c:10]2[n:11]([cH:12]1)[n:13][cH:14][cH:15]2