HRID212282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28557

18-Crown-6

C12H24O6

HCID166653

Hydride

H-

HCID11312825

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(Cc2cc3cnc(C#N)nc3n2CC(C)(C)C)CC1

HCID10180312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecb83d4f01124d5298f163c28f8ee2e9
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:35][CH2:36][c:37]1[cH:38][c:39]2[c:40]([n:41][c:42]([C:45]#[N:46])[n:43][cH:44]2)[n:47]1[CH2:48][C:49]([CH3:50])([CH3:51])[CH3:52].[CH3:3][O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1.[H-:2].[Na+:1].[O:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH3:3][O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([CH2:36][c:37]3[cH:38][c:39]4[c:40]([n:41][c:42]([C:45]#[N:46])[n:43][cH:44]4)[n:47]3[CH2:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1