HRID141806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

HCID12688643

未命名化合物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)[N+]2=C1OCC2CC

HCID178438862

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CSCC)C1=O

HCID76834568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfe8c490826b4fbc8027672fdbc439bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:38]([CH3:39])[S-:40].[CH2:9]([CH:10]=[CH2:11])[C:12]1([CH3:37])[C:13]2=[N+:14]([CH:15]([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[CH:16]([c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]3)[CH2:17]1)[CH:32]([CH2:35][CH3:36])[CH2:33][O:34]2.[F:1][C:2]([F:3])([F:4])[S:5]([O-:6])(=[O:7])=[O:8].[Na+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH2:9]([CH:10]=[CH2:11])[C:12]1([CH3:37])[C:13](=[O:34])[N:14]([CH:32]([CH2:33][S:40][CH2:38][CH3:39])[CH2:35][CH3:36])[CH:15]([c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[CH:16]([c:18]2[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[CH2:17]1