HRID2129896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID11647

N-Methylhydroxylamine

CH5NO

结构：CC(C(=O)Cl)c1ccc2c(c1)C(=O)c1ccccc1CO2

HCID86753358

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)N(C)O)c1ccc2c(c1)C(=O)c1ccccc1CO2

HCID10519073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1ba4cd846354ef39231fc62066a1e3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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