Sodium ion → (4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-(2,2,2-trifluoro-ethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-methanone

HRID 122827Notes

Reaction equation

HRID 122827 reaction equation
[CH3:32][S:33]([O:34][CH2:37][C:38]([F:39])([F:40])[F:41])(=[O:35])=[O:36].[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14][cH:15][c:16]([O:18][CH:19]4[CH2:20][CH2:21][N:22]([CH:25]([CH3:26])[CH3:27])[CH2:23][CH2:24]4)[cH:17]3)[nH:28]2)[CH2:6][CH2:7]1.[H-:30].[Na+:31]>>[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14][cH:15][c:16]([O:18][CH:19]4[CH2:20][CH2:21][N:22]([CH:25]([CH3:26])[CH3:27])[CH2:23][CH2:24]4)[cH:17]3)[n:28]2[CH2:37][C:38]([F:39])([F:40])[F:41])[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 166653HydrideHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 16727356(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-pyrrolo[2,3-b]pyridin-2-yl]-methanone

Product 1

HCID 16727145(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-(2,2,2-trifluoro-ethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-methanone

Sources & evidence

ORD record
ord-bfd55efbd8644feba5084fcace618690
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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