HRID159470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19220

1-Benzyl-4-piperidone

C12H15NO

HCID230488

2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

C17H12N2O

HCID13466236

未命名化合物

PRODUCTS

生成物

结构：O=C(OC1(c2nccc3ccccc23)CCN(Cc2ccccc2)CC1)c1ccccc1

HCID319768

(1-benzyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate

C28H26N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2ba10afd2b144d3990608569812ff4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:25]([CH:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[CH:33]=[CH:34][N:35]1[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44])#[N:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[n:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1.[CH2:45]([N:46]1[CH2:47][CH2:48][C:49](=[O:50])[CH2:51][CH2:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([O:14][C:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:44])([c:15]2[n:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1