HRID207711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

反应SMILES：CC(C)(C)OC(=O)n1cc(Br)c2ccccc21

HCID20097636

tert-Butyl 3-bromo-1H-indole-1-carboxylate

C13H14BrNO2

HCID87319476

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(NC(=O)OC(C)(C)C)C(=O)NCC=Cc1cn(C(=O)OC(C)(C)C)c2ccccc12

HCID67235757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0ece5260a8c3467fb080209f5f1145a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[n:25]1[cH:26][c:27]([Br:34])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[CH2:1]([CH:2]=[CH2:3])[NH:4][C:5]([CH:6]([CH2:7][CH3:8])[NH:9][C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])=[O:17].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:73][C:74]#[N:75].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64].[c:35]1([CH3:36])[cH:37][cH:38][cH:39][cH:40][c:41]1[P:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1[CH3:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][c:55]1[CH3:56]>>[CH2:1]([CH:2]=[CH:3][c:27]1[cH:26][n:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[c:33]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2)[NH:4][C:5]([CH:6]([CH2:7][CH3:8])[NH:9][C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])=[O:17]