HRID106334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID7061

N,N-Diethylaniline

C10H15N

HCID28179

Fluoride

F-

结构：C#CC(Oc1cc2c(c(F)c1F)OC(CCCCC)CC2)C1CCC(CCC)CC1

HCID58151907

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCc2c3c(c(F)c(F)c2O1)OC(C1CCC(CCC)CC1)C=C3

HCID58151914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d904d3e75a7142fba3defc06b9b1a765
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

[CH2:35]([N:36]([CH2:37][CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH3:45].[ClH:34].[F-:31].[F:1][c:2]1[c:3]([O:18][CH:19]([C:20]#[CH:21])[CH:22]2[CH2:23][CH2:24][CH:25]([CH2:28][CH2:29][CH3:30])[CH2:26][CH2:27]2)[cH:4][c:5]2[c:10]([c:11]1[F:12])[O:9][CH:8]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:7][CH2:6]2.[K+:32].[OH2:33]>>[F:1][c:2]1[c:3]2[c:4]([c:5]3[c:10]([c:11]1[F:12])[O:9][CH:8]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:7][CH2:6]3)[CH:21]=[CH:20][CH:19]([CH:22]1[CH2:23][CH2:24][CH:25]([CH2:28][CH2:29][CH3:30])[CH2:26][CH2:27]1)[O:18]2