HRID95821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(N)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

HCID195716

ICI 222155

C9H12N2O4S

HCID574590

4-Bromo-2,5-difluorobenzenesulfonyl chloride

C6H2BrClF2O2S

PRODUCTS

生成物

结构：Cc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

HCID18676537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7a2f6bc02d14dccbb1beb77282773d6
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

[Br:9][c:10]1[cH:11][c:12]([F:21])[c:13]([S:17](=[O:18])(=[O:19])[Cl:20])[cH:14][c:15]1[F:16].[CH3:22][c:23]1[cH:24][c:25]([NH2:26])[cH:27][c:28]([CH3:37])[c:29]1[S:30](=[O:31])(=[O:32])[CH2:33][N+:34](=[O:35])[O-:36].[K+:8].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:7].[OH2:43].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[Br:9][c:10]1[cH:11][c:12]([F:21])[c:13]([S:17](=[O:18])(=[O:19])[NH:26][c:25]2[cH:24][c:23]([CH3:22])[c:29]([S:30](=[O:31])(=[O:32])[CH2:33][N+:34](=[O:35])[O-:36])[c:28]([CH3:37])[cH:27]2)[cH:14][c:15]1[F:16]