HRID1152770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

结构：CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)Cl

HCID13100684

2-[5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoyl chloride

C16H10Cl2F3NO5

HCID20441139

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1OCCO1)C(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID20441152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-004c02838ea44249a8d78991b14535f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[NH:4][CH2:5][CH:6]1[O:7][CH2:8][CH2:9][O:10]1.[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[N+:18](=[O:19])([O-:20])[c:21]1[c:22]([O:23][CH:24]([C:25](=[O:26])[Cl:27])[CH3:28])[cH:29][c:30]([O:33][c:34]2[c:35]([Cl:44])[cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]2)[cH:31][cH:32]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH:6]1[O:7][CH2:8][CH2:9][O:10]1)[C:25]([CH:24]([O:23][c:22]1[c:21]([N+:18](=[O:19])[O-:20])[cH:32][cH:31][c:30]([O:33][c:34]2[c:35]([Cl:44])[cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]2)[cH:29]1)[CH3:28])=[O:26]