HRID117850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID14418045

6-Bromo-2-methylpyridin-3-amine

C6H7BrN2

HCID51050526

未命名化合物

PRODUCTS

生成物

结构：COc1c(Nc2ccc(Br)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID58671601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-565427eda7c741ec969f58be45f4e65e
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:23][c:24]1[cH:25][cH:26][c:27]([NH2:31])[c:28]([CH3:30])[n:29]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([CH3:50])([CH3:51])[CH3:52].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:22])[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[Pd+2:63]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:31][c:27]3[cH:26][cH:25][c:24]([Br:23])[n:29][c:28]3[CH3:30])[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1