查数据/反应详情

HRID155911

反应详情

EQUATION

反应方程式

HRID 155911 的结构方程式

REACTANTS

反应物

3

结构：CO

Methanol

CH4O

结构：CN

Methylamine

CH5N

结构：COC(=O)C(Cl)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F

未命名化合物

PRODUCTS

生成物

1

结构：CNC(=O)C(Cl)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4283313ca16f4daba5d84d391649e6eb
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

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

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