HRID954561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID139377

Methylboronic acid

CH5BO2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

HCID57366416

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID67380834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b91faac3bfb43969d8412c023c21469
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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