HRID110307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID10540773

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate

C13H15NO4S

结构：COC(=O)c1ccc(Cl)cc1N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(O)cc1

HCID68579212

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cl)cc1N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

HCID68579386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47f9395919f749fdad74e05d0e56898e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:49](=[O:50])([O-:51])[O-:52].[CH3:1][O:2][C:3]([c:4]1[c:5]([N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]2)[cH:6][c:7]([Cl:10])[cH:8][cH:9]1)=[O:29].[CH3:30][c:31]1[c:32]([CH2:42][CH2:43][O:44][S:45]([CH3:46])(=[O:47])=[O:48])[n:33][c:34](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[o:35]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Cs+:53].[Cs+:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([O:28][CH2:43][CH2:42][c:32]3[c:31]([CH3:30])[o:35][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:33]3)[cH:26][cH:27]2)[cH:6][c:7]([Cl:10])[cH:8][cH:9]1)=[O:29]