HRID170465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID21846044

未命名化合物

结构：CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(O)cccc32)C(=O)N1Cc1ccc(F)cc1

HCID136400875

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)COc1cccc2c1S(=O)(=O)N=C2C1=C(O)C(C(C)(C)C)N(Cc2ccc(F)cc2)C1=O

HCID178486297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0449f0d0980b448e90c0e28f71178ea5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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