HRID2157266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID200382

Phenethylamine, 4-(benzyloxy)-3-methoxy-

C16H19NO2

HCID178478506

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1

HCID66985012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cf0fbcf4d4748a7b2dc0e6b4f743702
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

[C:18](=[O:19])([O-:20])[O-:21].[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[c:36]([O:44][CH3:45])[cH:37][c:38]([CH2:41][CH2:42][NH2:43])[cH:39][cH:40]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl-:1].[Cl:2][CH2:3][CH2:4][NH+:5]([CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH2:15][CH2:16][Cl:17].[ClH:26].[I-:25].[K+:22].[K+:23].[Na+:24].[OH2:57]>>[CH2:3]1[CH2:4][N:5]([CH2:6][CH2:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:43]1[CH2:42][CH2:41][c:38]1[cH:37][c:36]([O:44][CH3:45])[c:35]([O:34][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:40][cH:39]1