HRID1152922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO

结构：COc1ccc(C(=O)N(C)C2CNCC2c2ccc(Cl)cc2)cc1C(F)(F)F

HCID67025659

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)c3ccc(C#N)cc3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F

HCID67025651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cf128491a0d42679c157b1a2875021d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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