HRID160189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

HCID8857

Ethyl acetate

C4H8O2

HCID17607

Sulfuryl fluoride

F2O2S

HCID81531

Diisopropylethylamine

C8H19N

HCID88873

2-Chloro-5-(fluorosulpho)benzoic acid

C7H4ClFO4S

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1

HCID45464231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcb795b23b80420a83fc290e87b31439
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH2:35]1[NH:36][CH2:37][CH2:38][NH:39][CH2:40]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:11](=[O:12])(=[O:13])[F:14])[cH:9][cH:10]1.[N:15]1([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[S:41]([F:42])([F:43])(=[O:44])=[O:45]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:18]2[CH2:17][CH2:16][N:15]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:20][CH2:19]2)[cH:9][cH:10]1