HRID213617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID15718287

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

HCID15718288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8e42c2805254f44ab6fb257ae869833
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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