HRID689927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID166653

Hydride

H-

HCID178418616

未命名化合物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(F)cc1-c1ccccc1

HCID178500617

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(Sc2ccccn2)cc1-c1ccccc1

HCID178500631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3011f33add15476abe346cd7b8563101
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]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([F:13])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25].[CH3:46][S:47]([CH3:48])=[O:49].[H-:40].[K+:33].[K+:34].[Na+:39].[O-:35][C:36]([O-:37])=[O:38].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:50].[SH:26][c:27]1[n:28][cH:29][cH:30][cH:31][cH:32]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([S:26][c:27]2[n:28][cH:29][cH:30][cH:31][cH:32]2)[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25]