HRID834767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID284

Formic acid

CH2O2

HCID698

未命名化合物

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID4594375

Estra-1,3,5(10)-trien-17-one

C18H22O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bebedf7176bb4060a3feca8e090a646e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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