HRID134334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

结构：CC(C)(C)OC(=O)CCN1CCc2cc(COc3ccc(Cl)c(C(F)(F)F)c3)ccc2C1

HCID69174089

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCN1CCc2cc(COc3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccc2C1

HCID69171162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c0221c2026a44c3a318d79d4d8595d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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