HRID935442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID308483

3-Cyanobenzoyl chloride

C8H4ClNO

HCID11622629

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

C12H11NO3

HCID69688689

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1Cl

HCID86586800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0af86008baf42c387db5d5f5bc3788c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:18])[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19].[C:36]([c:37]1[cH:38][c:39]([C:43]([Cl:44])=[O:45])[cH:40][cH:41][cH:42]1)#[N:46].[CH2:20]([O:22][C:23](=[O:21])[CH2:24][C:25](=[O:26])[c:27]1[cH:28][c:29]([C:33]#[N:34])[cH:30][cH:31][cH:32]1)[CH3:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:18][C:23](=[O:22])[CH2:24][C:25](=[O:26])[c:27]2[cH:28][c:29]([C:33]#[N:34])[cH:30][cH:31][cH:32]2)[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]