Sodium ion → [5-(4-Cyclopentyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

HRID 89279Notes

Reaction equation

HRID 89279 reaction equation
[CH3:35][S:36]([O:37][CH2:40][C:41]([F:42])([F:43])[F:44])(=[O:38])=[O:39].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[N:25]5[CH2:26][CH2:27][C:28]([F:31])([F:32])[CH2:29][CH2:30]5)[nH:19][c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:33].[Na+:34]>>[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[N:25]5[CH2:26][CH2:27][C:28]([F:31])([F:32])[CH2:29][CH2:30]5)[n:19]([CH2:40][C:41]([F:42])([F:43])[F:44])[c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 68681312[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68680578[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-d308800806124316becf7c4c31467428
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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