HRID121238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID98708

未命名化合物

结构：NC(=O)Nc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1N

HCID15585470

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(=Nc1cc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1NC(N)=O)NC(=O)OC

HCID135999370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf5717297f8f452e8f16e0a28f940e33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:26][O:27][C:28](=[O:29])[NH:30][C:31]([S:32][CH3:33])=[N:34][C:35](=[O:36])[O:37][CH3:38].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][OH:57].[F:1][C:2]([c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[O:12][c:13]2[cH:14][cH:15][c:16]([NH:20][C:21](=[O:22])[NH2:23])[c:17]([NH2:18])[cH:19]2)[cH:6][cH:7][cH:8]1)([F:24])[F:25].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[O:12][c:13]2[cH:14][cH:15][c:16]([NH:20][C:21](=[O:22])[NH2:23])[c:17]([N:18]=[C:31]([NH:30][C:28]([O:27][CH3:26])=[O:29])[NH:34][C:35](=[O:36])[O:37][CH3:38])[cH:19]2)[cH:6][cH:7][cH:8]1)([F:24])[F:25]