HRID679352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID45073592

未命名化合物

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(C=O)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID86672654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7c354e0fe15456eacebe7bd090003e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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:42](=[O:43])([O-:44])[O-:45].[CH:31](=[O:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][n:38]1.[Na+:46].[Na+:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:48].[OH2:55]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([CH:31]=[O:32])[n:38][cH:37]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