HRID2318114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

结构：O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(O)cc1

HCID23325101

4-[2-Nitro-4-(trifluoromethyl)phenoxy]phenol

C13H8F3NO4

HCID53787831

Ethyl 4-bromo-3-methoxypent-2-enoate

C8H13BrO3

PRODUCTS

生成物

结构：CCOC(=O)C=C(OC)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

HCID53972465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51cb336f30dc46b6ab21ec756f6b53df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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