HRID104024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID88098

N-Isopropylethylenediamine

C5H14N2

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID57980798

未命名化合物

PRODUCTS

生成物

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

HCID57980852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edf4e3311d314ec287302a47b5f8c61a
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

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