HRID185236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3776

Isopropanol

C3H8O

结构：COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

HCID66693934

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

HCID75292864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29d1296069c4f5d903e0a078169c500
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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