HRID312387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80971

Quinoline-3-carboxylic acid

C10H7NO2

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)c3cnc4ccccc4c3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID59134221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61e0c573300947c08dd23007fdca1b54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[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.[n:1]1[cH:2][c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[n:1]1[cH:2][c:3]([C:11](=[O:13])[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:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12