HRID92848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：O=C(Cn1nc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccc1C(F)(F)F

HCID136199109

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)NCc1ccccc1C(F)(F)F

HCID58012065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0a17d044e4d4442b7b5be9573203b21
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:29](=[O:30])([O-:31])[O-:32].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:14][C:15](=[O:16])[NH:17][CH2:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]3)[c:11](=[O:13])[nH:12]2)[cH:6][cH:7]1.[Cs+:33].[Cs+:34].[F:35][C:36]([CH:37]1[CH2:38][O:39]1)([F:40])[F:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:14][C:15](=[O:16])[NH:17][CH2:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]3)[c:11](=[O:13])[n:12]2[CH2:38][CH:37]([C:36]([F:35])([F:40])[F:41])[OH:39])[cH:6][cH:7]1