HRID2126436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O

HCID50895

Haloxyfop

C15H11ClF3NO4

结构：O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1O

HCID181228

Phenol, 5-(2,4-dichlorophenoxy)-2-nitro-

C12H7Cl2NO4

PRODUCTS

生成物

结构：CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Oc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

HCID14721718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0b95134da824c21a91db5ac99a4e1ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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