查数据/反应详情

HRID315821

反应详情

EQUATION

反应方程式

HRID 315821 的结构方程式

REACTANTS

反应物

2

结构：CC(C)=O

Acetone

C3H6O

结构：COC(=O)C=Cc1cccc(F)c1NC(=O)Nc1cc(C(F)(F)F)ccc1OC

未命名化合物

PRODUCTS

生成物

1

结构：COC(=O)CC1c2cccc(F)c2NC(=O)N1c1cc(C(F)(F)F)ccc1OC

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3db1cc9f993045909df2f3fcb06b9c91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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

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