HRID667686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COc1ccc(N2C(=O)N(c3cccc(C#N)c3)c3nc(Nc4ccccc4)ncc3C2C)cc1

HCID10367082

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2C(=O)N(c3cccc(C(N)=O)c3)c3nc(Nc4ccccc4)ncc3C2C)cc1

HCID10480299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cabba1d8272543558908e9573acacbe9
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:35])[N:11]([c:27]3[cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33][cH:34]3)[c:12]3[n:13][c:14]([NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:15][cH:16][c:17]3[CH:18]2[CH3:19])[cH:7][cH:8]1.[CH3:40][S:41](=[O:42])[CH3:43].[Na+:37].[OH-:36].[OH:38][OH:39]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:35])[N:11]([c:27]3[cH:28][c:29]([C:30]([NH2:31])=[O:36])[cH:32][cH:33][cH:34]3)[c:12]3[n:13][c:14]([NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:15][cH:16][c:17]3[CH:18]2[CH3:19])[cH:7][cH:8]1