HRID2125145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID142179

4-Acetylpyrazole

C6H8N2O2

HCID166653

Hydride

H-

结构：Fc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc2c1C=C(CBr)CO2

HCID86657648

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(CC2=Cc3c(F)cc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3OC2)c1

HCID86657650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b773911a72c4f2bbf1ab3f3a7156d97
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

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