HRID168806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID53299272

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-n2cncn2)ccc1Nc1ncnc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1

HCID57964954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9363a73895ef4f439df2b345e541494b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[Cl:23])[CH2:12][CH2:13]1.[CH3:24][c:25]1[n:26][c:27](-[n:32]2[n:33][cH:34][n:35][cH:36]2)[cH:28][cH:29][c:30]1[NH2:31].[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Na+:42].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[Pd+2:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH:31][c:30]2[c:25]([CH3:24])[n:26][c:27](-[n:32]3[n:33][cH:34][n:35][cH:36]3)[cH:28][cH:29]2)[CH2:12][CH2:13]1