HRID1147736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID304590

2,4-Dihydroxypyrimidine-5-carbaldehyde

C5H4N2O3

HCID2724942

未命名化合物

结构：CC(C)(C)c1ccc(-c2nc3c(N4CCNCC4)ccnc3[nH]2)cc1

HCID178440762

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5c[nH]c(=O)[nH]c5=O)CC4)ccnc3[nH]2)cc1

HCID178440763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c238c433f55f467c93434e7838755ff1
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

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