HRID1548467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID8857

Ethyl acetate

C4H8O2

HCID9825

2-Fluoro-4-nitrophenol

C6H4FNO3

HCID81531

Diisopropylethylamine

C8H19N

HCID22309497

6-Chloro-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C12H12ClN3O

PRODUCTS

产物

反应SMILES：COc1ccc(CNc2cc(Oc3ccc([N+](=O)[O-])cc3F)ncn2)cc1

HCID59301605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a20f4c5db3a8456fbb444ed2c74b4241
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

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