HRID283763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID922304

phenyl 3-nitrobenzoate

C13H9NO4

HCID15047260

4-(2-Methyl-1H-indol-3-yl)butanoic acid

C13H15NO2

PRODUCTS

生成物

结构：Cc1c(CCCC(=O)O)c2ccccc2n1C(=O)c1cccc([N+](=O)[O-])c1

HCID19101761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8271ff5984cf45c6bf13ee6f404756f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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