HRID92073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777557

6-(Trifluoromethyl)nicotinoyl chloride

C7H3ClF3NO

结构：CC(C)N1CC2N(C(=O)C(N)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID59134252

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC2N(C(=O)C(NC(=O)c3ccc(C(F)(F)F)nc3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID59134206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0853c052f17b4975b2920ba452257bcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[F:1][C:2]([c:3]1[n:4][cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1)([F:12])[F:13].[NH2:14][CH:15]1[CH2:16][N:17]([S:38](=[O:39])(=[O:40])[c:41]2[c:42]([Cl:48])[cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[CH:18]2[N:19]([C:20]1=[O:21])[CH:22]([CH2:30][c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1)[C:23](=[O:29])[N:24]([CH:26]([CH3:27])[CH3:28])[CH2:25]2>>[F:1][C:2]([c:3]1[n:4][cH:5][c:6]([C:7](=[O:8])[NH:14][CH:15]2[CH2:16][N:17]([S:38](=[O:39])(=[O:40])[c:41]3[c:42]([Cl:48])[cH:43][c:44]([Cl:47])[cH:45][cH:46]3)[CH:18]3[N:19]([C:20]2=[O:21])[CH:22]([CH2:30][c:31]2[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]2)[C:23](=[O:29])[N:24]([CH:26]([CH3:27])[CH3:28])[CH2:25]3)[cH:10][cH:11]1)([F:12])[F:13]