查数据/反应详情

HRID1571391

反应详情

EQUATION

反应方程式

HRID 1571391 的结构方程式

REACTANTS

反应物

2

结构：CC#N

Acetonitrile

C2H3N

结构：CCOC(=O)C=C(CNC(CC(C(F)(F)F)C(F)(F)F)C(=O)OC)Oc1ccccc1Cl

未命名化合物

PRODUCTS

生成物

1

结构：COC(=O)C(CC(C(F)(F)F)C(F)(F)F)N1CC(Oc2ccccc2Cl)=CC1=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1d571fa799e48208ba7b2765945dc00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([C:7]([F:8])([F:9])[F:10])[C:11]([F:12])([F:13])[F:14])[NH:15][CH2:16][C:17](=[CH:18][C:19]([O:21][CH2:20][CH3:22])=[O:23])[O:24][c:25]1[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]1)=[O:32].[CH3:33][C:34]#[N:35]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([C:7]([F:8])([F:9])[F:10])[C:11]([F:12])([F:13])[F:14])[N:15]1[CH2:16][C:17]([O:24][c:25]2[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]2)=[CH:18][C:19]1=[O:21])=[O:32]

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