查数据/反应详情

HRID679749

反应详情

EQUATION

反应方程式

HRID 679749 的结构方程式

REACTANTS

反应物

2

结构：CC#N

Acetonitrile

C2H3N

结构：CC(C)(C)OC(=O)NC(CNC(=O)OCC[Si](C)(C)C)CC1CCCCC1

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)OC(=O)NC(CN)CC1CCCCC1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f385aa7e955c4b40910aa577ed7b6b74
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

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

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