HRID91498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734716

2-Chloro-N-methoxy-N-methylacetamide

C4H8ClNO2

结构：CC(=O)Oc1cc(C(=O)Nc2ccc(-n3ccnc3)c(C(F)(F)F)c2)ccc1F

HCID18007835

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)COc1cc(C(=O)Nc2ccc(-n3ccnc3)c(C(F)(F)F)c2)ccc1F

HCID18007805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e149c9801c9e456bb05c36f03b489070
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:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:15][cH:16]2)[cH:26][cH:27][c:28]1[F:29].[C:32](=[O:33])([O-:34])[O-:35].[CH3:30][OH:31].[CH3:46][C:47](=[O:48])[CH3:49].[Cl:38][CH2:39][C:40](=[O:41])[N:42]([CH3:43])[O:44][CH3:45].[Cs+:36].[Cs+:37]>>[O:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:15][cH:16]2)[cH:26][cH:27][c:28]1[F:29])[CH2:39][C:40](=[O:41])[N:42]([CH3:43])[O:44][CH3:45]