HRID2329429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID541501

1,3,5-Trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C10H20N2O

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：CN1CC2(C)CN(c3ccc(C#N)c4ccccc34)CC(C)(C1)C2O

HCID69226257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d8e52a7fdecd4012a52d3ae8b3209e21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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