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

HRID 138133Notes

Reaction equation

HRID 138133 reaction equation
[CH3:36][S:37]([O:38][CH2:41][C:42]([F:43])([F:44])[F:45])(=[O:39])=[O:40].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[H-:34].[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[c:15]3[cH:16][c:17]4[cH:18][c:19]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][C:29]([F:32])([F:33])[CH2:30][CH2:31]5)[nH:20][c:21]4[cH:22][cH:23]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:35]>>[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[c:15]3[cH:16][c:17]4[cH:18][c:19]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][C:29]([F:32])([F:33])[CH2:30][CH2:31]5)[n:20]([CH2:41][C:42]([F:43])([F:44])[F:45])[c:21]4[cH:22][cH:23]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 68681611[5-([1,4']bipiperidinyl-1'-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68681708[5-([1,4']Bipiperidinyl-1'-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-f6530457fede45049981a3d8afb18ef1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…