HRID683734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11622629

ethyl 3-(3-cyanophenyl)-3-oxopropanoate

C12H11NO3

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1N

HCID69592772

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

HCID86588012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2c4895df20c4669b82438a0b1f4b4a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:25])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:26].[CH2:27]([O:29][C:30](=[O:28])[CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36]([C:40]#[N:41])[cH:37][cH:38][cH:39]1)[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:25][C:30](=[O:29])[CH2:31][C:32](=[O:33])[c:34]2[cH:35][c:36]([C:40]#[N:41])[cH:37][cH:38][cH:39]2)[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:26]