Water → 1,2,3,4-Tetrahydro-6-methoxy-N-(2-(methylsulfonyl)-5-(piperazin-1-yl)phenyl)naphthalen-1-amine

HRID 697391Notes

Reaction equation

HRID 697391 reaction equation
[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

Participants

9

Reactant 8

HCID 962WaterHCID 4837PiperazineHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 382506-Methoxy-1,2,3,4-tetrahydro-1-naphthalenylamineHCID 81531DiisopropylethylamineHCID 27583362,4-Difluoro-1-(methylsulfonyl)benzeneHCID 67147323N-(5-Fluoro-2-(methylsulfonyl)phenyl)-1,2,3,4-tetrahydro-6-methoxynaphthalen-1-amine

Product 1

HCID 587073331,2,3,4-Tetrahydro-6-methoxy-N-(2-(methylsulfonyl)-5-(piperazin-1-yl)phenyl)naphthalen-1-amine

Sources & evidence

ORD record
ord-8de4cb1cea974023b0a0dda0415df15b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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