HRID135854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate Ion

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2783397

2-Fluoropyridine-5-boronic acid

C5H5BFNO2

HCID58970691

未命名化合物

PRODUCTS

产物

HCID58970697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-69db410cab3d4e41b72bba1fd380c252
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

[CH2:68]([OH:69])[CH2:70][CH3:71].[F:1][c:2]1[n:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[NH2:11][c:12]1[n:13][c:14]2[cH:15][c:16]([Br:32])[cH:17][n:18][c:19]2[c:20]2[c:21]1[n:22][c:23]([CH2:30][CH3:31])[n:24]2[CH2:25][C:26]([CH3:27])([OH:28])[CH3:29].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:67].[Pd+2:58].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[F:1][c:2]1[n:3][cH:4][c:5](-[c:16]2[cH:15][c:14]3[n:13][c:12]([NH2:11])[c:21]4[c:20]([c:19]3[n:18][cH:17]2)[n:24]([CH2:25][C:26]([CH3:27])([OH:28])[CH3:29])[c:23]([CH2:30][CH3:31])[n:22]4)[cH:6][cH:7]1