Dimethyl Sulfoxide → trans-4-(5'-Chloro-6-(piperidin-4-yl-amino)-2,4'-bipyridin-2'-yl-amino)cyclohexanol

HRID 197770Notes

Reaction equation

HRID 197770 reaction equation
[CH3:72][S:73]([CH3:74])=[O:75].[Cl:1][c:2]1[c:3](-[c:4]2[cH:5][cH:6][cH:7][c:8]([F:9])[n:10]2)[cH:11][c:12]([NH:13][CH:14]2[CH2:15][CH2:16][CH:17]([OH:18])[CH2:19][CH2:20]2)[n:21][cH:22]1.[Cl:37][c:38]1[c:39](-[c:52]2[n:53][c:54]([NH:58][CH:59]3[CH2:60][CH2:61][N:62]([C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])=[O:71])[CH2:63][CH2:64]3)[cH:55][cH:56][cH:57]2)[cH:40][c:41]([NH:44][CH:45]2[CH2:46][CH2:47][CH:48]([OH:51])[CH2:49][CH2:50]2)[n:42][cH:43]1.[NH2:23][CH:24]1[CH2:25][CH2:26][N:27]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:35][CH2:36]1>>[Cl:37][c:38]1[c:39](-[c:52]2[n:53][c:54]([NH:58][CH:59]3[CH2:60][CH2:61][NH:62][CH2:63][CH2:64]3)[cH:55][cH:56][cH:57]2)[cH:40][c:41]([NH:44][CH:45]2[CH2:46][CH2:47][CH:48]([OH:51])[CH2:49][CH2:50]2)[n:42][cH:43]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 12682914-Amino-1-Boc-piperidineHCID 66937016trans-4-(5'-Chloro-6-fluoro-2,4'-bipyridin-2'-yl-amino)cyclohexanolHCID 66937069Tert-butyl 4-(5'-chloro-2'-(trans-4-hydroxycyclohexylamino)-2,4'-bipyridin-6-yl-amino)piperidine-1-carboxylate

Product 1

HCID 66936992trans-4-(5'-Chloro-6-(piperidin-4-yl-amino)-2,4'-bipyridin-2'-yl-amino)cyclohexanol

Sources & evidence

ORD record
ord-9352800e15004caf96377df643d1a2ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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