HRID2127039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7357

Triethylborane

C6H15B

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：CCOC(=O)C1=Cc2cc(I)cc(Cl)c2OC1C(F)(F)F

HCID58934641

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=Cc2cc(CC)cc(Cl)c2OC1C(F)(F)F

HCID69516448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee43279c698e4014b6c52b1d2e1be57b
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

[C:22](=[O:23])([O-:24])[O-:25].[CH2:28]([CH3:29])[B:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Cl:1][c:2]1[cH:3][c:4]([I:21])[cH:5][c:6]2[c:11]1[O:10][CH:9]([C:12]([F:13])([F:14])[F:15])[C:8]([C:16](=[O:17])[O:18][CH2:19][CH3:20])=[CH:7]2.[K+:26].[K+:27].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:35].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:28][CH3:29])[cH:5][c:6]2[c:11]1[O:10][CH:9]([C:12]([F:13])([F:14])[F:15])[C:8]([C:16](=[O:17])[O:18][CH2:19][CH3:20])=[CH:7]2