HRID313020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID123054

4-((Trifluoromethyl)thio)aniline

C7H6F3NS

结构：COc1cc2c(-c3cc4c(C=O)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID86612140

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4c(CNc5ccc(SC(F)(F)F)cc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67148271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71b4503ce2204a0f9642e218ef0bddee
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

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