HRID1541368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2734902

2-Ethoxyphenylboronic acid

C8H11BO3

结构：CC(=O)NC(Cc1cc(F)cc(Br)c1)C(O)C1COC(OCC(C)(C)C)C(C)N1C(=O)OC(C)(C)C

HCID77514545

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccccc1-c1cc(F)cc(CC(NC(C)=O)C(O)C2COC(OCC(C)(C)C)C(C)N2C(=O)OC(C)(C)C)c1

HCID77515000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f673a34bf52646cc9522b66cc9a00e74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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