HRID310688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736675

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

C7H3Cl2F3O2S

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)CC3)C(=O)C2(C)C)cc1OC

HCID67365205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4a4853692c6488db7c6a226ec0dbd66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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