HRID87413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID20458507

未命名化合物

HCID57609300

未命名化合物

PRODUCTS

生成物

结构：COc1nc(C=CC(=O)NNC(=O)OC(C)(C)C)ccc1-n1cnc(C)c1

HCID76624835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1edaad3b2f0b4deca91b910c570b7517
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:10]2[cH:11][n:12][c:13]([CH3:15])[cH:14]2)[c:6]([O:8][CH3:9])[n:7]1.[C:16]([CH:17]=[CH2:18])(=[O:19])[NH:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[Pd+2:60].[c:29]1([CH3:30])[cH:31][cH:32][cH:33][cH:34][c:35]1[P:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[c:2]1([CH:18]=[CH:17][C:16](=[O:19])[NH:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:3][cH:4][c:5](-[n:10]2[cH:11][n:12][c:13]([CH3:15])[cH:14]2)[c:6]([O:8][CH3:9])[n:7]1