HRID188690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID107207

3-Phenylpiperidine

C11H15N

HCID2724942

未命名化合物

HCID59730245

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CN2CCCC(c3ccccc3)C2)ccc1Oc1ccc(C#N)cn1

HCID59730042

6-[2-Methyl-4-[(3-phenyl-1-piperidinyl)methyl]phenoxy]-3-pyridinecarbonitrile

C25H25N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7fc154313ee4c9191c7e925f5671db3
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

[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:14][OH:15].[CH3:49][C:50](=[O:51])[OH:52].[CH:17](=[O:18])[c:19]1[cH:20][c:21]([CH3:34])[c:22]([O:23][c:24]2[n:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[cH:32][cH:33]1.[Cl:53][CH2:54][CH2:55][Cl:56].[ClH:1].[NH3:16].[Na+:48].[c:2]1([CH:8]2[CH2:9][NH:10][CH2:11][CH2:12][CH2:13]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([CH:8]2[CH2:9][N:10]([CH2:17][c:19]3[cH:20][c:21]([CH3:34])[c:22]([O:23][c:24]4[n:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]4)[cH:32][cH:33]3)[CH2:11][CH2:12][CH2:13]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1