HRID669780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID236984

Methyl 2-aminopyridine-4-carboxylate

C7H8N2O2

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

HCID57421268

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccnc(NC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)c1

HCID46941002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d73ff63a17c04d389eafb6e5bf793e98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:26][O:27][C:28](=[O:29])[c:30]1[cH:31][c:32]([NH2:36])[n:33][cH:34][cH:35]1.[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[CH:11]([C:12]([C:13]([F:14])([F:15])[F:16])([OH:17])[c:18]1[cH:19][c:20]([Cl:24])[n:21][cH:22][cH:23]1)[CH3:25].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:36][c:32]2[cH:31][c:30]([C:28]([O:27][CH3:26])=[O:29])[cH:35][cH:34][n:33]2)[cH:8][cH:9][c:10]1[CH:11]([C:12]([C:13]([F:14])([F:15])[F:16])([OH:17])[c:18]1[cH:19][c:20]([Cl:24])[n:21][cH:22][cH:23]1)[CH3:25]