HRID698889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID667618

1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine

C10H12F3N3

结构：NS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)c1

HCID86613621

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2-c2ccccc2)c1

HCID25004369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-554d2a37a90146f991348f239183b512
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:4](-[c:12]2[cH:13][c:14]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:15][cH:16][cH:17]2)[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1.[ClH:44].[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[n:34][cH:35]1)([F:42])[F:43].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[c:2]1([N:39]2[CH2:38][CH2:37][N:36]([c:33]3[cH:32][cH:31][c:30]([C:29]([F:28])([F:42])[F:43])[cH:35][n:34]3)[CH2:41][CH2:40]2)[c:3](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:4](-[c:12]2[cH:13][c:14]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:15][cH:16][cH:17]2)[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1