HRID90904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736675

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

C7H3Cl2F3O2S

结构：Cc1cc(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1N

HCID66971400

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl

HCID57718224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f88a6482ac849fc8effff3cbbd55d84
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

[CH3:1][c:2]1[c:3]([NH2:24])[n:4][n:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:13][cH:14]2)[cH:7]1.[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][c:2]1[c:3]([NH:24][S:36]([c:27]2[c:26]([Cl:25])[cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:28]2)(=[O:37])=[O:38])[n:4][n:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:13][cH:14]2)[cH:7]1