HRID1151451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID105144

Palladium(2+)

Pd+2

HCID4437009

2-Bromo-3-methyl-2-cyclopenten-1-one

C6H7BrO

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：COC(=O)c1ccc(-c2cc(OC)ccc2F)c(B2OC(C)(C)C(C)(C)O2)c1

HCID57706776

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=C(C)CCC2=O)c1

HCID57705608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc287af91253496480623668e3d0f8b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][C:2]1=[C:6]([CH3:7])[CH2:5][CH2:4][C:3]1=[O:8].[CH2:84]1[O:85][CH2:86][CH2:87][CH2:88]1.[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[c:60]([O:61][CH3:62])[cH:63][cH:64][cH:65][c:66]2[O:67][CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[F:9][c:10]1[c:11](-[c:18]2[c:19]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:20][c:21]([C:24](=[O:25])[O:26][CH3:27])[cH:22][cH:23]2)[cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1.[K+:42].[K+:43].[K+:44].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[OH2:74].[P:37]([O-:38])([O-:39])([O-:40])=[O:41].[Pd+2:75]>>[C:2]1([c:19]2[c:18](-[c:11]3[c:10]([F:9])[cH:15][cH:14][c:13]([O:16][CH3:17])[cH:12]3)[cH:23][cH:22][c:21]([C:24](=[O:25])[O:26][CH3:27])[cH:20]2)=[C:6]([CH3:7])[CH2:5][CH2:4][C:3]1=[O:8]