HRID1535149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

HCID2760732

2-(Trifluoromethoxy)thiophenol

C7H5F3OS

结构：CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC1C(=O)NC1(C#N)CC1

HCID178452484

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(Sc2ccccc2OC(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID77258672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec5bdf3fb37c423a88a6833273201d6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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