Sodium ion → 2-[2-(4,4-Difluoropiperidine-1-carbonyl)-5-[3-(2-methylpyrrolidin-1-yl)propoxy]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile

HRID 2152170Notes

Reaction equation

HRID 2152170 reaction equation
[Br:36][CH2:37][C:38]#[N:39].[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[CH2:37][C:38]#[N:39])[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 11534BromoacetonitrileHCID 166653HydrideHCID 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 684223502-[2-(4,4-Difluoropiperidine-1-carbonyl)-5-[3-(2-methylpyrrolidin-1-yl)propoxy]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile

Sources & evidence

ORD record
ord-d7a62aa3ea6f48489cc3939231146031
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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