HRID697391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

HCID6228

Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID38250

6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2758336

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

C7H6F2O2S

HCID67147323

未命名化合物

PRODUCTS

产物

HCID58707333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8de4cb1cea974023b0a0dda0415df15b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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