HRID1557477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID78344

Pyrimidine, 5-bromo-

C4H3BrN2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(N)c3)C(C)(C)C2=O)cc1

HCID57626002

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Nc4cncnc4)c3)C(C)(C)C2=O)cc1

HCID23630331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3968ddcf2ab41eda73bccf18e94272b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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