HRID110293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2758350

3,3-difluoropiperidine

C5H9F2N

结构：Cc1nc2ccc(Br)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

HCID11540085

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(N3CCCC(F)(F)C3)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

HCID11504451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07fda4a6841f442299287ee19aa52d6b
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

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