Dimethyl Sulfoxide → 4-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine

HRID 202086Notes

Reaction equation

HRID 202086 reaction equation
[CH3:48][S:49]([CH3:50])=[O:51].[Cl:1][c:2]1[c:3](-[c:16]2[cH:17][c:18]([F:23])[n:19][cH:20][c:21]2[Cl:22])[n:4][c:5]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:6][cH:7]1.[F:24][C:25]([CH:26]([CH2:27][NH:28][CH:29]1[CH2:30][CH2:31][CH:32]([NH2:35])[CH2:33][CH2:34]1)[O:36][CH3:37])([F:38])[F:39].[n:40]1[c:41]([CH3:42])[cH:43][cH:44][cH:45][c:46]1[CH3:47]>>[Cl:1][c:2]1[c:3](-[c:16]2[cH:17][c:18]([NH:35][CH:32]3[CH2:31][CH2:30][CH:29]([NH:28][CH2:27][CH:26]([C:25]([F:24])([F:38])[F:39])[O:36][CH3:37])[CH2:34][CH2:33]3)[n:19][cH:20][c:21]2[Cl:22])[n:4][c:5]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 79372,6-LutidineHCID 581271593,5'-dichloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridin-6-amineHCID 669372594-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine

Product 1

HCID 772014194-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine

Sources & evidence

ORD record
ord-d7a1ad66f3df4624905c9e4dbdf1ec54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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