HRID687216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID2995

Desipramine

C18H22N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID30165

Iodide ion

I-

HCID68320

Propanoic acid, 3-bromo-, ethyl ester

C5H9BrO2

PRODUCTS

生成物

结构：CCOC(=O)CCN(C)CCCN1c2ccccc2CCc2ccccc21

HCID69141727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77e07c91fbab4ee5b3492472a7f5904c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][CH2:26][Br:27])=[O:28].[CH3:1][NH:2][CH2:3][CH2:4][CH2:5][N:6]1[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21.[CH3:55][C:56](=[O:57])[CH3:58].[I-:36].[K+:33].[K+:34].[Na+:35].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH2:47][CH2:48][O:49][CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][N:6]1[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)[CH2:26][CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:28]