HRID2135167

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

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

反应SMILES：Ic1cccc2nc(NC3CCc4ccccc43)ccc12

HCID67095933

未命名化合物

PRODUCTS

产物

反应SMILES：c1ccc(-c2cccc3nc(NC4CCc5ccccc54)ccc23)cc1

HCID67095905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-736bbcd593de4568ac4676fb35ab5bf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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