HRID2150523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24404

Phosphine

H3P

HCID28179

Fluoride

F-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

结构：CC(=NOCc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CO)cc1

HCID86595995

未命名化合物

PRODUCTS

生成物

结构：CC(=NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1

HCID86595996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77fecd94b02e49f0907dae44a5c64302
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

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[c:3]([C:21]([F:22])([F:23])[F:24])[cH:4][c:5]([CH2:6][O:7][N:8]=[C:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([CH2:17][OH:18])[cH:15][cH:16]2)[cH:19][cH:20]1.[F-:35].[K+:36].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[PH3:34].[Pd+2:48].[c:25]1([B:31]([OH:32])[OH:33])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([C:21]([F:22])([F:23])[F:24])[cH:4][c:5]([CH2:6][O:7][N:8]=[C:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([CH2:17][OH:18])[cH:15][cH:16]2)[cH:19][cH:20]1