HRID1148971

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

HCID11263501

1-Methyl-1H-pyrazole-4-boronic acid

C4H7BN2O2

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1

HCID66575762

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1

HCID70872682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da4897ebbcb248018431cfe2f144a038
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]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:38](=[O:39])([O-:40])[O-:41].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:29][n:30]1[n:31][cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1.[Na+:42].[Na+:43]>>[c:2]1(-[c:33]2[cH:32][n:31][n:30]([CH3:29])[cH:34]2)[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]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