HRID205387

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

HCID2768923

Hydroxylamine, O-(1-methylethyl)-

C3H9NO

结构：CCCCc1nc(C)n(CC(=O)C(C)(C)C)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1F

HCID136026990

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(CC(=NOC(C)C)C(C)(C)C)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1F

HCID136653243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62f7e12927604ae097f1e1fded40c784
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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