HRID687526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID14917

Hydrogen fluoride

结构：CC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

HCID59750908

未命名化合物

PRODUCTS

生成物

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

HCID59750895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-926b63eddd5f47668b2d34cb8c246c90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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