HRID2154837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3672

Ibuprofen

C13H18O2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID23149331

未命名化合物

PRODUCTS

生成物

HCID3672

Ibuprofen

C13H18O2

HCID23149331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-876577788eec4ae2a636c56563146ef3
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

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