HRID2147160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID22506610

{4-[(Dimethylamino)methyl]phenyl}boronic acid

C9H14BNO2

结构：CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID66576790

5-Bromo-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzamide

C23H30BrN3O3

PRODUCTS

生成物

结构：CCN(c1cc(-c2ccc(CN(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dace713df564b579d32c5814f3e289f
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

[Br:1][c:2]1[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:31][N:32]([CH3:33])[CH2:34][c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[Na+:48].[Na+:49].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:50]>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([CH2:34][N:32]([CH3:31])[CH3:33])[cH:40][cH:39]2)[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1