HRID191697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75430

Butane-1-sulfonyl chloride

C4H9ClO2S

结构：O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID3741048

Perfluorobutanesulfonate

C4F9O3S-

HCID18411300

未命名化合物

PRODUCTS

生成物

HCID3741048

Perfluorobutanesulfonate

C4F9O3S-

结构：CCCCS(=O)(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1

HCID86596789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee9a5f91f90d4ba5a4f6b44fb4bec652
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:38]([CH2:39][CH2:40][CH3:41])[S:42](=[O:43])(=[O:44])[Cl:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:54][CH2:55][Cl:56].[F:1][C:2]([C:3]([C:4]([C:5]([S:6](=[O:7])(=[O:8])[O-:9])([F:10])[F:11])([F:12])[F:13])([F:14])[F:15])([F:16])[F:17].[OH2:53].[OH:18][c:19]1[cH:20][cH:21][c:22]([S+:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][cH:24]1>>[F:1][C:2]([C:3]([C:4]([C:5]([S:6](=[O:7])(=[O:8])[O-:9])([F:10])[F:11])([F:12])[F:13])([F:14])[F:15])([F:16])[F:17].[O:18]([c:19]1[cH:20][cH:21][c:22]([S+:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][cH:24]1)[S:42]([CH2:38][CH2:39][CH2:40][CH3:41])(=[O:43])=[O:44]