HRID301895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID23938

Palladium

2 次

HCID93146

1H-Pyrazol-3-amine, 5-methyl-

C4H7N3

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

HCID68979422

未命名化合物

PRODUCTS

生成物

结构：CSCCOc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1

HCID24753492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cfa5d73981840c6988eb1e16e05c44d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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