HRID1204435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID19067575

7-Fluoroquinolin-2(1H)-one

C9H6FNO

结构：CC(C)(C)OC(=O)NC1CCN(CCOS(C)(=O)=O)CC1

HCID56834478

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)ccc3ccc(F)c(F)c32)CC1

HCID86642603

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)ccc3ccc(F)cc32)CC1

HCID86635312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7bc54eb38cd4e3787116dd87d110822
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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