HRID947963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID70458488

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCCCC(=O)c2ccc(C)c(S(N)(=O)=S)c2)CC1

HCID70458354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8c0f7a0ac3848ebb2c6201c38ad6729
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:19][O:20][c:21]1[c:22]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:23][cH:24][cH:25][cH:26]1.[CH3:39][S:40](=[O:41])[CH3:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([CH3:18])[c:12]([S:14](=[O:15])(=[S:16])[NH2:17])[cH:13]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:49]>>[CH2:2]([CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([CH3:18])[c:12]([S:14](=[O:15])(=[S:16])[NH2:17])[cH:13]1)[N:30]1[CH2:29][CH2:28][N:27]([c:22]2[c:21]([O:20][CH3:19])[cH:26][cH:25][cH:24][cH:23]2)[CH2:32][CH2:31]1