HRID701075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID7059263

3-Chloro-4-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO

HCID55295894

未命名化合物

PRODUCTS

产物

反应SMILES：Fc1cccc(COc2ccc(Nc3ncnc4cn[nH]c34)cc2Cl)c1

HCID57597221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-539d8fb37167463b9b37dc20008976ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:1][S:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[cH:9][n:10][nH:11]2.[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:12][c:13]1[cH:14][c:15]([NH2:16])[cH:17][cH:18][c:19]1[O:20][CH2:21][c:22]1[cH:23][c:24]([F:28])[cH:25][cH:26][cH:27]1.[ClH:29].[n:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[c:3]1([NH:16][c:15]2[cH:14][c:13]([Cl:12])[c:19]([O:20][CH2:21][c:22]3[cH:23][c:24]([F:28])[cH:25][cH:26][cH:27]3)[cH:18][cH:17]2)[c:4]2[c:5]([n:6][cH:7][n:8]1)[cH:9][n:10][nH:11]2