HRID162781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID86623475

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(N2CCN(C)CC2)cc1CC(=O)OC(C)(C)C

HCID66869033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4897f764f3648c49841ae48a6e5922f
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:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][c:14]1[cH:15][c:16]([Cl:21])[n:17][cH:18][c:19]1[CH3:20])=[O:22].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:23][N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl-:30].[NH4+:31].[Na+:6].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[Pd+2:48]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][c:14]1[cH:15][c:16]([N:27]2[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]2)[n:17][cH:18][c:19]1[CH3:20])=[O:22]