HRID90151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7482

4-Nitrobenzyl chloride

C7H6ClNO2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID88278

Piperidine, 4-(diphenylmethyl)-

C18H21N

结构：O=[N+]([O-])c1ccc(CN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1

HCID21424840

4-(Diphenylmethyl)-1-[(4-nitrophenyl)methyl]piperidine

C25H26N2O2

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(CN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1

HCID20225820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4897a3cbbeeb4cf695804831cbf7aec9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:68][CH2:69][OH:70].[H:66][H:67].[N+:20]([c:21]1[cH:22][cH:23][c:24]([CH2:25][Cl:26])[cH:27][cH:28]1)([O-:29])=[O:30].[N+:37]([O-:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([CH2:46][N:47]2[CH2:48][CH2:49][CH:50]([CH:53]([c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[CH2:51][CH2:52]2)[cH:44][cH:45]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH2:71].[c:1]1([CH:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH2:37][c:40]1[cH:41][cH:42][c:43]([CH2:46][N:47]2[CH2:48][CH2:49][CH:50]([CH:53]([c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[CH2:51][CH2:52]2)[cH:44][cH:45]1