HRID1214701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID2758336

2,4-Difluoro-1-(methanesulfonyl)benzene

C7H6F2O2S

HCID58707312

未命名化合物

结构：CC(Nc1cc(F)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCCO2

HCID67147312

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCCO2

HCID11633830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21ac40499a7746929c3e84958ff11fb5
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

[CH2:61]1[CH2:62][NH:63][CH2:64][CH2:65][NH:66]1.[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:72][C:73]#[N:74].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]([CH:5]([NH2:6])[CH3:7])[c:8]2[c:13]([cH:14]1)[O:12][CH2:11][CH2:10][O:9]2.[Cl:36][c:37]1[cH:38][c:39]2[c:40]([c:45]([CH:47]([CH3:48])[NH:49][c:50]3[c:51]([S:57](=[O:58])(=[O:59])[CH3:60])[cH:52][cH:53][c:54]([F:56])[cH:55]3)[cH:46]1)[O:41][CH2:42][CH2:43][O:44]2.[F:15][c:16]1[cH:17][c:18]([F:19])[cH:20][cH:21][c:22]1[S:23]([CH3:24])(=[O:25])=[O:26].[OH2:75]>>[Cl:36][c:37]1[cH:38][c:39]2[c:40]([c:45]([CH:47]([CH3:48])[NH:49][c:50]3[c:51]([S:57](=[O:58])(=[O:59])[CH3:60])[cH:52][cH:53][c:54]([N:63]4[CH2:62][CH2:61][NH:66][CH2:65][CH2:64]4)[cH:55]3)[cH:46]1)[O:41][CH2:42][CH2:43][O:44]2