HRID310108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70556

Spirodecanone

C13H17N3O

HCID2736734

1-Cyano-4-fluoronaphthalene

C11H6FN

反应SMILES：N#Cc1ccc(N2CCC(O)(c3ccccc3)CC2)c2ccccc12

HCID69227684

4-(4-Hydroxy-4-phenylpiperidin-1-yl)naphthalene-1-carbonitrile

C22H20N2O

PRODUCTS

产物

反应SMILES：N#Cc1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc12

HCID11610643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7e211fe025104b218085676b8fc5eaa9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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