HRID1224607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11355447

3-methoxypyrrolidine

C5H11NO

HCID11451238

未命名化合物

PRODUCTS

生成物

HCID178493130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e4f53b6c78c4a9b9efbfcdf047585fa
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

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