HRID2147004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=S(=O)(c1ccc(Cl)cc1)C(CCCCO)c1cc(F)ccc1F

HCID59750832

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)cc1)C(CCCCF)c1cc(F)ccc1F

HCID23028657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bde08a0a857844929c221f8a065b15a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:25][N:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[CH3:32][S:33](=[O:34])(=[O:35])[Cl:36].[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][OH:16])[c:17]2[c:18]([F:24])[cH:19][cH:20][c:21]([F:23])[cH:22]2)[cH:6][cH:7]1.[Cl:55][CH2:56][Cl:57].[F-:37].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][F:37])[c:17]2[c:18]([F:24])[cH:19][cH:20][c:21]([F:23])[cH:22]2)[cH:6][cH:7]1