HRID122678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

结构：O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

HCID7433

3,5-Dinitrobenzoic acid

C7H4N2O6

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID85255520

未命名化合物

HCID178466619

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1(c2ccccc2F)CO1

HCID178469280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19a505b1764e4d84aeda788dd92cca34
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

[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[CH:79]([O:80][CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[F:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[C:8]1([CH:9]([O:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][O:16]2)[CH3:17])[CH2:18][O:19]1.[F:20][c:21]1[c:22]([C:27]2([CH:30]([CH3:31])[OH:32])[O:28][CH2:29]2)[cH:23][cH:24][cH:25][cH:26]1.[N+:52](=[O:53])([O-:54])[c:55]1[cH:56][c:57]([C:58](=[O:59])[OH:60])[cH:61][c:62]([N+:64](=[O:65])[O-:66])[cH:63]1.[O:67]=[C:68]([O:69][CH2:70][CH3:71])[N:72]=[N:73][C:74]([O:75][CH2:76][CH3:77])=[O:78].[O:86]1[CH2:87][CH2:88][CH2:89][CH2:90]1.[OH2:91].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[F:20][c:21]1[c:22]([C:27]2([CH:30]([CH3:31])[O:32][C:58]([c:57]3[cH:56][c:55]([N+:52](=[O:53])[O-:54])[cH:63][c:62]([N+:64](=[O:65])[O-:66])[cH:61]3)=[O:59])[O:28][CH2:29]2)[cH:23][cH:24][cH:25][cH:26]1