HRID2312511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID31738

4-Benzylpiperidine

C12H17N

HCID24688422

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CC2CCN(CCCc3nnc4n3CCCCC4)CC2)cc1

HCID15521157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24a962a10bb4497d839dc72ef7f9efff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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