HRID197342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2775675

2-methyl-6-(trifluoromethyl)nicotinoyl chloride

C8H5ClF3NO

结构：CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1N

HCID58614887

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O

HCID58614781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27f8b071ef7442359e9dcc6bb9584bc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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