HRID683866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID58229332

未命名化合物

结构：Cc1ccc(S(=O)(=O)N2CCN(c3cc(I)ccc3C)CC2)cc1

HCID59563961

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc3C)CC2)cc1

HCID59563969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21cbceacafc249fc9a32d6bfb357efb4
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:39](=[O:40])([O-:41])[O-:42].[CH3:46][CH2:47][CH2:48][CH2:49][N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Cl-:45].[Cs+:43].[Cs+:44].[F:25][CH:26]([O:27][c:28]1[cH:29][c:30]([S:34](=[O:35])[O-:36])[cH:31][cH:32][cH:33]1)[F:37].[I:1][c:2]1[cH:3][cH:4][c:5]([CH3:24])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][CH2:13]2)[cH:7]1.[Na+:38]>>[c:2]1([S:34]([c:30]2[cH:29][c:28]([O:27][CH:26]([F:25])[F:37])[cH:33][cH:32][cH:31]2)(=[O:35])=[O:36])[cH:3][cH:4][c:5]([CH3:24])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][CH2:13]2)[cH:7]1