HRID95091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID1146

Trimethylamine

C3H9N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID87120882

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCCCCc2c(F)c(F)c(F)c(F)c2F)cc1

HCID87130928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6583d90ce57d43169259c265b97901dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:29][N:30]([CH3:31])[CH3:32].[CH3:33][N:34]([CH3:35])[CH2:36][CH2:37][NH2:38].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[ClH:28].[ClH:39].[F:1][c:2]1[c:3]([F:16])[c:4]([F:15])[c:5]([F:14])[c:6]([F:13])[c:7]1[CH2:8][CH2:9][CH2:10][CH2:11][OH:12].[OH2:47].[c:17]1([CH3:27])[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[Cl:26])[cH:21][cH:22]1>>[F:1][c:2]1[c:3]([F:16])[c:4]([F:15])[c:5]([F:14])[c:6]([F:13])[c:7]1[CH2:8][CH2:9][CH2:10][CH2:11][O:12][S:23]([c:20]1[cH:19][cH:18][c:17]([CH3:27])[cH:22][cH:21]1)(=[O:24])=[O:25]