HRID305722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID12982

2-Bromofluoroethane

C2H4BrF

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31374

Dimethylacetamide

C4H9NO

结构：CCOC(=O)C1Cc2c(ccc3nn(Cc4ccccc4)cc23)C1=O

HCID59397246

未命名化合物

PRODUCTS

生成物

HCID59397241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c304803a5d34272a33eee5230cb11b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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