HRID120161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15540

Benzenesulfonyl chloride, 2-nitro-

C6H4ClNO4S

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(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(F)cc2c1=O

HCID13922530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb1eaa3c6ff94e0e92594eb9e231df0a
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

[CH2:53]([Cl:54])[Cl:55].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[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.[N+:34](=[O:35])([O-:36])[c:37]1[c:38]([S:43](=[O:44])(=[O:45])[Cl:46])[cH:39][cH:40][cH:41][cH:42]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]([O:19][S:43]([c:38]4[c:37]([N+:34](=[O:35])[O-:36])[cH:42][cH:41][cH:40][cH:39]4)(=[O:44])=[O:45])[n:17][c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1