查数据/反应详情

HRID124502

反应详情

EQUATION

反应方程式

HRID 124502 的结构方程式

REACTANTS

反应物

3

结构：CCOC(C)=O

Ethyl acetate

C4H8O2

结构：[Pd]

Palladium

Pd

结构：Cc1ccc(Cc2cnc([Si](C)(C)C(C)(C)C)n2S(=O)(=O)N(C)C)cc1[N+](=O)[O-]

未命名化合物

PRODUCTS

生成物

1

结构：Cc1ccc(Cc2cnc([Si](C)(C)C(C)(C)C)n2S(=O)(=O)N(C)C)cc1N

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-562c780a15474bbfbca00532cc09dd65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[n:6]1[c:7]([Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[n:8][cH:9][c:10]1[CH2:11][c:12]1[cH:13][c:14]([N+:19]([O-:20])=[O:21])[c:15]([CH3:18])[cH:16][cH:17]1)[CH3:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[Pd:36]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[n:6]1[c:7]([Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[n:8][cH:9][c:10]1[CH2:11][c:12]1[cH:13][c:14]([NH2:19])[c:15]([CH3:18])[cH:16][cH:17]1)[CH3:29]

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