HRID211294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID136912

3,5-Di-t-butylpyrazole

C11H20N2

HCID166653

Hydride

H-

HCID23143241

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(OCc2ccc(Cn3nc(C(C)(C)C)cc3C(C)(C)C)cc2)cc1F

HCID23159844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b985c1b7255d43719bec299b50b4bd04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][nH:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][O:23][c:24]2[cH:25][c:26]([F:37])[c:27]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:28][cH:29]2)[cH:38][cH:39]1.[H-:14].[Na+:15].[OH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:17][c:18]2[cH:19][cH:20][c:21]([CH2:22][O:23][c:24]3[cH:25][c:26]([F:37])[c:27]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:28][cH:29]3)[cH:38][cH:39]2)[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1