HRID1201435

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

HCID319549

Ethyl 2-aminooxazole-4-carboxylate

C6H8N2O3

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：CCOC(=O)c1coc(NC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)n1

HCID86645945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a139ca6db4624f33be7520900edc45b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:26]([CH3:27])[O:28][C:29](=[O:30])[c:31]1[n:32][c:33]([NH2:36])[o: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:33]2[n:32][c:31]([C:29]([O:28][CH2:26][CH3:27])=[O:30])[cH:35][o:34]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]