HRID1560073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7969

Benzenethiol

C6H6S

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1

HCID58065830

未命名化合物

PRODUCTS

产物

反应SMILES：Brc1ccc2c(c1)c1cc(Br)ccc1n2CCCNc1ccccc1

HCID46851212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-22d130fa31154a82bda0caab4b37c61e
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

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