HRID95613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCCCC(O)CS(=O)(=O)N(c1ccc(C(F)(F)F)cc1OCOC)C(C)C

HCID22671994

未命名化合物

HCID22672070

未命名化合物

PRODUCTS

生成物

结构：CCCCC=CS(=O)(=O)N(c1ccc(C(F)(F)F)cc1OCOC)C(C)C

HCID66918867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecbb66e1828f43ebb27fbf8d0ed4cde9
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

[CH2:41]([Cl:42])[Cl:43].[CH3:1][O:2][CH2:3][O:4][c:5]1[c:6]([N:15]([CH:16]([CH3:17])[CH3:18])[S:19](=[O:20])(=[O:21])[CH2:22][CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])[OH:28])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:40].[N:29]12[CH2:30][CH2:31][CH2:32][CH2:33][CH:34]1[CH2:35][NH:36][CH2:37][CH:38]=[CH:39]2.[S:51]([Cl:52])([CH3:53])(=[O:54])=[O:55]>>[CH3:1][O:2][CH2:3][O:4][c:5]1[c:6]([N:15]([CH:16]([CH3:17])[CH3:18])[S:19](=[O:20])(=[O:21])[CH:22]=[CH:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1