HRID1566939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

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

HCID23028792

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CC1

HCID59750775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30f91442bbcb4a5a98ff2c84ee42e5ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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