HRID2345814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1)C(=O)NO

HCID10297707

未命名化合物

结构：CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1)C(=O)O

HCID22646710

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1)C(=O)NO

HCID10117864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1add59f8bcf14ce6992072edadad262c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:32][CH:33]([CH3:34])[CH:35]([CH2:36][S:37]([N:38]1[CH2:39][CH2:40][N:41]([c:42]2[n:43][cH:44][c:45](-[c:46]3[cH:47][cH:48][c:49]([C:60]([F:61])([F:62])[F:63])[cH:50][cH:51]3)[cH:52][n:53]2)[CH2:54][CH2:55]1)(=[O:56])=[O:57])[C:58]([OH:59])=[O:64].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH:24]([C:25](=[O:26])[NH:27][OH:28])[CH:29]([CH3:30])[CH3:31])[CH2:18][CH2:19]3)[n:12][cH:13]2)[cH:6][cH:7]1>>[c:2]1([C:60]([F:61])([F:62])[F:63])[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH:24]([C:25](=[O:26])[NH:27][OH:28])[CH:29]([CH3:30])[CH3:31])[CH2:18][CH2:19]3)[n:12][cH:13]2)[cH:6][cH:7]1