HRID2132815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID44754839

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

C12H16BNO3

结构：CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc(N(CC)C2CCOCC2)c1C

HCID70872768

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C=O)nc2)cc(N(CC)C2CCOCC2)c1C

HCID86672672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1559b02ac074eeb8adb862fac4dbfaf
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:24]([CH:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[CH2:31][CH3:32])[c:5]([CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:21])[nH:13][c:14]([CH3:20])[cH:15][c:16]2[CH2:17][CH2:18][CH3:19])[cH:22]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[cH:42][cH:43][c:44]([CH:47]=[O:48])[n:45][cH:46]2)[O:49]1.[Na+:54].[Na+:55].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1>>[c:2]1(-[c:41]2[cH:42][cH:43][c:44]([CH:47]=[O:48])[n:45][cH:46]2)[cH:3][c:4]([N:24]([CH:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[CH2:31][CH3:32])[c:5]([CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:21])[nH:13][c:14]([CH3:20])[cH:15][c:16]2[CH2:17][CH2:18][CH3:19])[cH:22]1