HRID94766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)nc2c1

HCID178449972

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)nc2c1

HCID178514703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f41030ffed5b4a0e98c0b8378d7214de
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][c:17]3[c:18]([nH:19][c:20]([CH2:22][O:23][c:24]4[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[n:21]3)[cH:34][cH:35]2)[cH:11][cH:12][cH:13][cH:14]1.[CH:37]([OH:38])([CH3:39])[CH3:40].[ClH:36]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][c:17]3[c:18]([nH:19][c:20]([CH2:22][O:23][c:24]4[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[n:21]3)[cH:34][cH:35]2)[cH:11][cH:12][cH:13][cH:14]1