HRID2320001

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

反应SMILES：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

反应SMILES：O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1

HCID67380914

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4CCOC4=O)cc3)CC2)cc1

HCID67380847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-db51ed8afd9e48d6a6844a9a47185ca6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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