HRID1234820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID77337

2-Nitrophenylacetic acid

C8H7NO4

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

PRODUCTS

生成物

结构：O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1

HCID2225138

N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide

C20H23N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06baaf703bbd4e6f88961c6b50bb0ec1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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