HRID680716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15942204

未命名化合物

HCID59577951

未命名化合物

结构：CC(C)CS(=O)(=O)N1CCC2(CCN(c3ccc(C(O)C(F)(F)F)cc3)C2=O)CC1

HCID59578029

8-[(2-Methylpropyl)sulfonyl]-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C20H27F3N2O4S

PRODUCTS

生成物

结构：CC(C)CS(=O)(=O)N1CCC2(CCN(c3ccc(C(O)C(F)F)cc3)C2=O)CC1

HCID59578095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9c603f9d0424b61ae195d5a90b410a3
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

[Br:49][c:50]1[cH:51][cH:52][c:53]([CH:54]([OH:55])[CH:56]([F:57])[F:58])[cH:59][cH:60]1.[CH2:19]([CH:20]([CH3:21])[CH3:22])[S:23](=[O:24])(=[O:25])[N:26]1[CH2:27][CH2:28][C:29]2([CH2:30][CH2:31][N:32]([c:35]3[cH:36][cH:37][c:38]([CH:41]([C:42]([F:43])([F:44])[F:45])[OH:46])[cH:39][cH:40]3)[C:33]2=[O:34])[CH2:47][CH2:48]1.[CH2:1]([S:2]([N:3]1[CH2:4][CH2:5][C:6]2([C:7](=[O:8])[NH:9][CH2:10][CH2:11]2)[CH2:12][CH2:13]1)(=[O:14])=[O:15])[CH:16]([CH3:17])[CH3:18]>>[CH2:19]([CH:20]([CH3:21])[CH3:22])[S:23](=[O:24])(=[O:25])[N:26]1[CH2:27][CH2:28][C:29]2([CH2:30][CH2:31][N:32]([c:35]3[cH:36][cH:37][c:38]([CH:41]([CH:42]([F:43])[F:44])[OH:46])[cH:39][cH:40]3)[C:33]2=[O:34])[CH2:47][CH2:48]1