查数据/反应详情

HRID146302

反应详情

EQUATION

反应方程式

HRID 146302 的结构方程式

REACTANTS

反应物

3

结构：C[N+](=O)[O-]

Nitromethane

CH3NO2

结构：CCN(CC)CC

Triethylamine

C6H15N

结构：C[SiH](C)OC1(C=O)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：C[SiH](C)OC1(C(O)C[N+](=O)[O-])CC(C(C)(C)C)CN1C(=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-364a0189bc894886b3e63a698392ea83
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:8]([CH3:9])([CH3:10])([CH3:11])[CH:12]1[CH2:13][C:14]([CH:24]=[O:25])([O:26][SiH:27]([CH3:28])[CH3:29])[N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[N+:30](=[O:31])([O-:32])[CH3:33]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[CH:12]1[CH2:13][C:14]([CH:24]([OH:25])[CH2:33][N+:30](=[O:31])[O-:32])([O:26][SiH:27]([CH3:28])[CH3:29])[N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]1

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