HRID1568046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID8471

Triethylamine

C6H15N

HCID8495

3-Nitrobenzoyl chloride

C7H4ClNO3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID1482096

benzyl 4-(1H-indol-3-yl)butanoate

C19H19NO2

PRODUCTS

生成物

结构：O=C(CCCc1cn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)OCc1ccccc1

HCID10623056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c25ab48e308b4a6096e44b13df052357
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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