HRID162913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID53400861

(4-Bromophenyl)[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H13BrF3NO

结构：CC(=O)OCc1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl

HCID57672046

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(Cl)cc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1Cl

HCID57672051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab188826508c4b559d987004d0214eca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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