HRID111785

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

HCID44717393

3-Bromo-2,2,3-trifluoropropanoic acid

C3H2BrF3O2

结构：CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1Cl

HCID59318353

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4C(F)C(F)(F)C(=O)O)c3)no2)cc1Cl

HCID24987096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ecdadd72fa4791955f4ce5a651949b
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

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