HRID101093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID2736347

2-Ethoxy-4-nitrobenzoic acid

C9H9NO5

HCID11673285

3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

C15H14N2O2

PRODUCTS

生成物

结构：CCOc1cc([N+](=O)[O-])ccc1C(=O)n1cc(-c2ccc(OC)c(OC)c2)c2cccnc21

HCID57891702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af51940f1375487892c4f1e06a7754a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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