HRID1212596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID61778

Bisulfate anion

HO4S-

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：CS(=O)(=O)c1ccc2c(C(=O)c3ccc(F)cc3)c(O)ccc2c1

HCID15434620

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc2c(C(=O)c3ccc(F)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID22125694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c30799462ff045008cfa32990d4d5c2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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