HRID2324463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(O)c(F)cc2c1=O

HCID178469556

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N=[N+]=[N-])c(F)cc2c1=O

HCID13849345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77fe3e728a844f4f84a6b33c7d2e513f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[ClH:50].[F:1][c:2]1[c:3](-[n:9]2[cH:10][c:11]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:12](=[O:21])[c:13]3[cH:14][c:15]([F:20])[c:16]([OH:19])[n:17][c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[OH2:62].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)(=[O:35])[N:41]=[N+:42]=[N-:43])[cH:36][cH:37][cH:38][cH:39][cH:40]1.[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[F:1][c:2]1[c:3](-[n:9]2[cH:10][c:11]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:12](=[O:21])[c:13]3[cH:14][c:15]([F:20])[c:16]([N:41]=[N+:42]=[N-:43])[n:17][c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1