HRID1556239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8085

2-Methyl-N-(2-methylpropyl)-1-propanamine

C8H19N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID71073

Benz(d)isoxazole

C7H5NO

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID135800812

未命名化合物

PRODUCTS

生成物

HCID135723522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-748bfde0c2664b978d377f2e4e3a6153
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

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