HRID2141887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID784

Hydrogen peroxide

H2O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(C)(C)C#N)C3)ccc1-2

HCID58203804

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(C)(C)C(N)=O)C3)ccc1-2

HCID58204259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77067e9b775746879a9e0f16d94a97f9
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

[C:32]([O-:33])(=[O:34])[O-:35].[CH3:41][S:42]([CH3:43])=[O:44].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][N:25]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[K+:36].[K+:37].[OH2:40].[OH:38][OH:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][N:25]([C:27]([C:28]([NH2:29])=[O:33])([CH3:30])[CH3:31])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2