HRID686753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID4113

Methoxyamine

CH5NO

HCID8857

Ethyl acetate

C4H8O2

HCID24996010

未命名化合物

HCID59199379

未命名化合物

PRODUCTS

生成物

HCID59199379

未命名化合物

结构：CON=C1CC(C)(C)C(n2cncc2C(=O)OC)c2ccccc21

HCID72540939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe8b593524e640e8ba0df3a244b7342e
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

[CH3:22][O:23][C:24](=[O:25])[c:26]1[n:27]([CH:31]2[C:32]([CH3:42])([CH3:43])[CH2:33][C:34](=[O:41])[c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]32)[cH:28][n:29][cH:30]1.[CH3:45][O:46][NH2:47].[CH3:54][OH:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[ClH:44].[F:1][C:2]1([F:21])[C:3]([CH3:19])([CH3:20])[CH:4]([n:11]2[cH:12][n:13][cH:14][c:15]2[CH:16]([F:17])[F:18])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH3:22][O:23][C:24](=[O:25])[c:26]1[n:27]([CH:31]2[C:32]([CH3:42])([CH3:43])[CH2:33][C:34](=[N:47][O:46][CH3:45])[c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]32)[cH:28][n:29][cH:30]1.[F:1][C:2]1([F:21])[C:3]([CH3:19])([CH3:20])[CH:4]([n:11]2[cH:12][n:13][cH:14][c:15]2[CH:16]([F:17])[F:18])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21