HRID1241014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID13567752

3,5-Dibromo-2-methoxypyridine

C6H5Br2NO

结构：CC1(C)OB(c2ccc(C(F)(F)F)cc2C=O)OC1(C)C

HCID86640534

未命名化合物

PRODUCTS

生成物

HCID86640537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54c647225f804320934ae3e245b0093b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:22][c:23]1[c:24]([O:30][CH3:31])[n:25][cH:26][c:27]([Br:29])[cH:28]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[c:10]([CH:11]=[O:12])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[O:21]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[K+:36].[K+:37].[OH2:50].[Pd:51]([Cl:52])[Cl:53].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[c:9]1(-[c:23]2[c:24]([O:30][CH3:31])[n:25][cH:26][c:27]([Br:29])[cH:28]2)[c:10]([CH:11]=[O:12])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1