HRID311487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

反应SMILES：Cc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

HCID86685450

未命名化合物

HCID86685504

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1cc(F)c2c(c1)B(O)OC2(C)C

HCID71576287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-317cf26288c44404ae179a98b3404057
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([C:11]2=[N:12][O:13][C:14]([C:16]([F:17])([F:18])[F:19])([c:20]3[cH:21][c:22]([Cl:28])[c:23]([Cl:27])[c:24]([Cl:26])[cH:25]3)[CH2:15]2)[cH:10]1.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[NH2:62][CH2:63][c:64]1[cH:65][c:66]([F:76])[c:67]2[c:68]([cH:75]1)[B:69]([OH:74])[O:70][C:71]2([CH3:72])[CH3:73].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[NH:62][CH2:63][c:64]2[cH:65][c:66]([F:76])[c:67]3[c:68]([cH:75]2)[B:69]([OH:74])[O:70][C:71]3([CH3:72])[CH3:73])[cH:7][cH:8][c:9]([C:11]2=[N:12][O:13][C:14]([C:16]([F:17])([F:18])[F:19])([c:20]3[cH:21][c:22]([Cl:28])[c:23]([Cl:27])[c:24]([Cl:26])[cH:25]3)[CH2:15]2)[cH:10]1