Sodium ion → (4,4-Difluoropiperidin-1-yl)-[5-[3-(2-methylpyrrolidin-1-yl)propoxy]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]methanone

HRID 1217204Notes

Reaction equation

HRID 1217204 reaction equation
[CH3:36][S:37]([O:38][CH2:41][C:42]([F:43])([F:44])[F:45])(=[O:39])=[O:40].[F:1][C:2]1([F:33])[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][CH2:19][CH2:20][CH2:21][N:22]4[CH:23]([CH3:27])[CH2:24][CH2:25][CH2:26]4)[cH:17]3)[n:28]2[S:29]([CH3:30])(=[O:31])=[O:32])[CH2:6][CH2:7]1.[H-:34].[Na+:35]>>[F:1][C:2]1([F:33])[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][CH2:19][CH2:20][CH2:21][N:22]4[CH:23]([CH3:27])[CH2:24][CH2:25][CH2:26]4)[cH:17]3)[n:28]2[CH2:41][C:42]([F:43])([F:44])[F:45])[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 166653HydrideHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 68423476(4,4-Difluoropiperidin-1-yl)-[5-[3-(2-methylpyrrolidin-1-yl)propoxy]-1-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanone

Product 1

HCID 68423329(4,4-Difluoropiperidin-1-yl)-[5-[3-(2-methylpyrrolidin-1-yl)propoxy]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]methanone

Sources & evidence

ORD record
ord-16a6ee1255a04da99817ed4b2d426b60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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