HRID144334

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

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

HCID13300035

2-Methoxy-6-nitrobenzoic acid

C8H7NO5

PRODUCTS

生成物

结构：COc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1

HCID21102223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2c9f81897f04467b0a1e06838c72a45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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