查数据/反应详情

HRID121145

反应详情

EQUATION

反应方程式

HRID 121145 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(C)C(=O)Nc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)C(=O)Nc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed2bed216e074885930e6cca3a6bd7cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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

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