HRID140846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID17208

Benzyltriethylammonium

C13H22N+

HCID10867235

Diisopropyl hydroxymethylphosphonate

C7H17O4P

HCID11032589

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(F)(F)F)c1S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C

HCID18981706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daa20ba6f0a64e8696334833f99453de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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