HRID197287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2795553

1-[3-(Piperidin-1-yl)phenyl]methanamine

C12H18N2

结构：CC(C)(C)OC(=O)NC1CCC(CNc2nc(Cl)ncc2[N+](=O)[O-])CC1

HCID57885529

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(CNc2nc(NCc3cccc(N4CCCCC4)c3)ncc2[N+](=O)[O-])CC1

HCID57885629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38c720c0591946eda50f3b2d72757c10
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([Cl:25])[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:48][CH2:49][OH:50].[Cl:51][CH2:52][Cl:53].[N:34]1([c:40]2[cH:41][c:42]([CH2:43][NH2:44])[cH:45][cH:46][cH:47]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:44][CH2:43][c:42]3[cH:41][c:40]([N:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:47][cH:46][cH:45]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26]