查数据/反应详情

HRID664797

反应详情

EQUATION

反应方程式

HRID 664797 的结构方程式

REACTANTS

反应物

3

结构：CO

Methanol

CH4O

结构：CCOC(C)=O

Ethyl acetate

C4H8O2

结构：CC(N=[N+]=[N-])C1C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：CC(N)C1C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3650ecd5db1a4d459b931cce34d90a15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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

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