HRID125913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID6951279

未命名化合物

结构：CC(c1ccc(N)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID86629109

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(C(=O)Nc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)c1

HCID86645949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d57ce898f514d2fa46e593414d310b4
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]([c:2]1[cH:3][c:4]([C:5](=[O:6])[O-:7])[cH:8][cH:9][cH:10]1)(=[O:11])[O:12][CH3:13].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[NH2:47][c:48]1[cH:49][c:50]([Cl:69])[c:51]([CH:54]([C:55]([C:56]([F:57])([F:58])[F:59])([OH:60])[c:61]2[cH:62][c:63]([Cl:67])[n:64][cH:65][cH:66]2)[CH3:68])[cH:52][cH:53]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[C:1]([c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:47][c:48]2[cH:49][c:50]([Cl:69])[c:51]([CH:54]([C:55]([C:56]([F:57])([F:58])[F:59])([OH:60])[c:61]3[cH:62][c:63]([Cl:67])[n:64][cH:65][cH:66]3)[CH3:68])[cH:52][cH:53]2)[cH:8][cH:9][cH:10]1)(=[O:11])[O:12][CH3:13]