HRID2150626

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-

HCID4103526

tert-Butyl N-(2-bromoethyl)carbamate

C7H14BrNO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNCCCN1c2ccccc2CCc2ccccc21

HCID86757926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71e64e950171460e93b29de3eaa9d744
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:21](=[O:22])([O-:23])[O-:24].[C:27](=[O:28])([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[NH:34][CH2:35][CH2:36][Br:37].[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.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][C:64](=[O:65])[CH3:66].[I-:57].[K+:25].[K+:26].[Na+:56].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[CH2:1]([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)[CH2:35][NH:34][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33]