HRID1572197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

反应SMILES：CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID13282759

Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C7H5BrF3NO2S

PRODUCTS

产物

反应SMILES：CCOC(=O)c1sc(-c2ccccc2)nc1C(F)(F)F

HCID1483699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e50459604f1940fbb7d3189c3aa2776f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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