Dichloromethane → 5-(4-((4-Fluoropiperidin-4-yl)methylamino)-5-(4-methoxyphenyl)pyridin-2-ylamino)pyrazine-2-carbonitrile

HRID 1568005Notes

Reaction equation

HRID 1568005 reaction equation
[C:8](#[N:9])[c:10]1[n:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20](-[c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[c:21]([NH:23][CH2:24][C:25]3([F:38])[CH2:26][CH2:27][N:28]([C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:29][CH2:30]3)[cH:22]2)[n:14][cH:15]1.[Cl:47][CH2:48][Cl:49].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[C:8](#[N:9])[c:10]1[n:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20](-[c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[c:21]([NH:23][CH2:24][C:25]3([F:38])[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[cH:22]2)[n:14][cH:15]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66745448Tert-butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(4-methoxyphenyl)pyridin-4-ylamino)methyl)-4-fluoropiperidine-1-carboxylate

Product 1

HCID 596134635-(4-((4-Fluoropiperidin-4-yl)methylamino)-5-(4-methoxyphenyl)pyridin-2-ylamino)pyrazine-2-carbonitrile

Sources & evidence

ORD record
ord-6d973c2720fe4b50a667321dda4aa188
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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