HRID1119358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID61778

Bisulfate anion

HO4S-

结构：CC(C)(C)OC(=O)N1CCCC(NC(=O)OCc2ccccc2)(C(F)(F)CO)C1

HCID58293317

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(NC(=O)OCc2ccccc2)(C(F)(F)COS(C)(=O)=O)C1

HCID58293354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f17547c5d9fe48d7bfa420e5d5052a49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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