HRID1536200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2781139

7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H10F3N

结构：COC(=O)C(CC(C)C)c1cc(OS(=O)(=O)C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1

HCID59004769

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCCc3ccc(C(F)(F)F)cc32)c1

HCID57666622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07427447bc00453eb4889b6cea85832b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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