HRID188343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6558

Isobutylamine

C4H11N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

HCID57980860

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc1

HCID57980863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e979efbf03ed462184e176810b753b13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[s:10][c:11]2[c:12]([n:13]1)[cH:14][cH:15][c:16]([O:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]1)[cH:17]2.[C:34](=[O:35])([O-:36])[O-:37].[CH2:29]([CH:30]([CH3:31])[CH3:32])[NH2:33].[CH3:41][S:42]([CH3:43])=[O:44].[Cs+:38].[Cs+:39].[OH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[s:10][c:11]2[c:12]([n:13]1)[cH:14][cH:15][c:16]([O:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([NH:33][CH2:29][CH:30]([CH3:31])[CH3:32])[cH:26][cH:27]1)[cH:17]2