HRID162873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID5641

Urethane

C3H7NO2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID57625971

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Nc1cc(CN2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)C2(C)C)ccn1

HCID57626004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d033ba9e6cd946e9aa043140d7ad1217
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])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:27])[N:13]([CH2:19][c:20]3[cH:21][c:22]([Cl:26])[n:23][cH:24][cH:25]3)[C:14]([CH3:17])([CH3:18])[C:15]2=[O:16])[cH:9][cH:10]1.[C:28](=[O:29])([O-:30])[O-:31].[C:46]([O-:47])(=[O:48])[CH3:49].[C:50]([O-:51])(=[O:52])[CH3:53].[CH3:34][CH2:35][O:36][C:37]([NH2:38])=[O:39].[Cs+:32].[Cs+:33].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[Pd+2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:27])[N:13]([CH2:19][c:20]3[cH:21][c:22]([NH:38][C:37]([O:36][CH2:35][CH3:34])=[O:39])[n:23][cH:24][cH:25]3)[C:14]([CH3:17])([CH3:18])[C:15]2=[O:16])[cH:9][cH:10]1