HRID961439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

结构：CCCc1cc(N2CCN(CCO)CC2)ncc1C(O)(C(F)(F)F)C(F)(F)F

HCID86647178

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(N2CCN(CCOC(C)=O)CC2)ncc1C(O)(C(F)(F)F)C(F)(F)F

HCID86647177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-329aef1b918f4cb9915231e0a159df86
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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