HRID2349744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)Nc1nc(C(=O)N(c2ccccc2)c2ccccc2)c2ncn(COCC[Se]c3ccccc3)c2n1

HCID18939372

未命名化合物

PRODUCTS

生成物

结构：C=COCn1cnc2c(C(=O)N(c3ccccc3)c3ccccc3)nc(NC(C)=O)nc21

HCID18939420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-444f8ec09c4e4c8c8693c43732bc6517
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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