HRID2151401

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

结构：CC1(C)OB(c2ccc(-c3nncn3C3CCCCO3)cc2)OC1(C)C

HCID58298305

未命名化合物

HCID86644654

6-Bromo-4-ethyl-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

C8H9BrN4O

PRODUCTS

生成物

结构：CCN1CC(=O)Nc2ncc(-c3ccc(-c4nncn4C4CCCCO4)cc3)nc21

HCID66607150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f1476f48d62435c92aec42c556ad692
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[n:3][c:4]2[c:5]([n:6][cH:7]1)[NH:8][C:9](=[O:14])[CH2:10][N:11]2[CH2:12][CH3:13].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:15]1[CH:16]([n:21]2[c:22](-[c:26]3[cH:27][cH:28][c:29]([B:32]4[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]4)[cH:30][cH:31]3)[n:23][n:24][cH:25]2)[CH2:17][CH2:18][CH2:19][CH2:20]1.[OH2:53]>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26](-[c:22]3[n:21]([CH:16]4[O:15][CH2:20][CH2:19][CH2:18][CH2:17]4)[cH:25][n:24][n:23]3)[cH:31][cH:30]2)[n:3][c:4]2[c:5]([n:6][cH:7]1)[NH:8][C:9](=[O:14])[CH2:10][N:11]2[CH2:12][CH3:13]