HRID2130157

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

HCID10998582

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

C11H16BNO3

结构：CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCC1

HCID66575766

未命名化合物

PRODUCTS

生成物

结构：CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCC1

HCID70872722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-968be52dc1bb402ca80fd9c17af0332d
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]([CH2:23][CH3:24])[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[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:46](=[O:47])([O-:48])[O-:49].[Na+:50].[Na+:51].[O:30]1[CH2:31][CH2:32][N:33]([CH2:36][c:37]2[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]2)[CH2:34][CH2:35]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:52]>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([CH2:36][N:33]3[CH2:32][CH2:31][O:30][CH2:35][CH2:34]3)[cH:42][cH:41]2)[cH:3][c:4]([N:22]([CH2:23][CH3:24])[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[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