HRID1118442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID10009

3-Pyridinamine

C5H6N2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID57625981

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Nc4cccnc4)c3)C(C)(C)C2=O)cc1

HCID57626005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e40565c40637499eb5dbbb393c5cfc81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:38](=[O:39])([O-:40])[O-:41].[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([N:13]2[C:14](=[O:29])[N:15]([CH2:21][c:22]3[cH:23][c:24]([Cl:28])[n:25][cH:26][cH:27]3)[C:16]([CH3:19])([CH3:20])[C:17]2=[O:18])[cH:11][cH:12]1)=[O:30].[Cs+:42].[Cs+:43].[NH2:31][c:32]1[cH:33][n:34][cH:35][cH:36][cH:37]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[Pd+2:54]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([N:13]2[C:14](=[O:29])[N:15]([CH2:21][c:22]3[cH:23][c:24]([NH:31][c:32]4[cH:33][n:34][cH:35][cH:36][cH:37]4)[n:25][cH:26][cH:27]3)[C:16]([CH3:19])([CH3:20])[C:17]2=[O:18])[cH:11][cH:12]1)=[O:30]