HRID1145852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID67699

1-Bromo-3-fluoropropane

C3H6BrF

HCID11992284

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(c2ccccc2N2CCN(CCCF)CC2)CC(C)(C)C1

HCID23141874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d53f45a75ef43afb1d033b3dcae2d65
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

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