HRID2136419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79214

1-Phenethylpiperazine

C12H18N2

HCID608315

4-Bromo-2-methylanisole

C8H9BrO

HCID2737393

1-(3-cyclohexylpropyl)piperazine

C13H26N2

HCID18757491

1-(Benzyloxy)-4-bromo-2-fluorobenzene

C13H10BrFO

PRODUCTS

生成物

结构：Fc1cc(N2CCN(CCCC3CCCCC3)CC2)ccc1OCc1ccccc1

HCID23111415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b89af45d7e449268374b5c31478fa2f
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

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