HRID186927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1004

Phosphoric acid

H3O4P

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：CC(=O)OCC(=C(CO)c1ccccc1)c1ccc(S(C)(=O)=O)cc1

HCID54199191

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=C(C(=O)O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1

HCID54279605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-807b02b4e7fa4b4d8579da8418dadb25
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

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