HRID95132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OCc1ccccc1

HCID58865050

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OCc1ccccc1

HCID58865047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1301a9d767e8448b976bad177954d644
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

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