HRID125199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

结构：O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

HCID156238

Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-

C13H6ClF3N2O5

HCID4187293

dimethyl methylphosphonite

C3H9O2P

结构：O=[N+]([O-])C1C(Cl)=C(OC2=C(Cl)C([N+](=O)[O-])C(c3ccccc3C(F)(F)F)([N+](=O)[O-])C=C2)C=CC1(c1ccccc1C(F)(F)F)[N+](=O)[O-]

HCID86740585

未命名化合物

PRODUCTS

生成物

结构：COP(C)(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID13564436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f8241fa9e4f4e648c9ee876426608ad
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

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