HRID179021

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

HCID81531

Diisopropylethylamine

C8H19N

HCID429093

未命名化合物

HCID2758336

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

C7H6F2O2S

HCID67147543

N-(5-Fluoro-2-(methylsulfonyl)phenyl)-1,2,3,4-tetrahydro-6,7-dimethoxynaphthalen-1-amine

C19H22FNO4S

PRODUCTS

产物

HCID58707331

1,2,3,4-tetrahydro-6,7-dimethoxy-N-(2-(methylsulfonyl)-5-(piperazin-1-yl)phenyl)naphthalen-1-amine

C23H31N3O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-95e0e6c106f049419f1497b325d00d45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:63]1[CH2:64][NH:65][CH2:66][CH2:67][NH:68]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[O:9][CH3:10])[CH:11]([NH2:12])[CH2:13][CH2:14][CH2:15]2.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][C:75]#[N:76].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[F:16][c:17]1[cH:18][c:19]([F:20])[cH:21][cH:22][c:23]1[S:24]([CH3:25])(=[O:26])=[O:27].[F:37][c:38]1[cH:39][cH:40][c:41]([S:59](=[O:60])(=[O:61])[CH3:62])[c:42]([NH:44][CH:45]2[CH2:46][CH2:47][CH2:48][c:49]3[cH:50][c:51]([O:57][CH3:58])[c:52]([O:55][CH3:56])[cH:53][c:54]32)[cH:43]1.[OH2:77]>>[c:38]1([N:65]2[CH2:64][CH2:63][NH:68][CH2:67][CH2:66]2)[cH:39][cH:40][c:41]([S:59](=[O:60])(=[O:61])[CH3:62])[c:42]([NH:44][CH:45]2[CH2:46][CH2:47][CH2:48][c:49]3[cH:50][c:51]([O:57][CH3:58])[c:52]([O:55][CH3:56])[cH:53][c:54]32)[cH:43]1