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

HRID 284991Notes

Reaction equation

HRID 284991 reaction equation
[CH3:34][S:35]([O:36][CH2:39][C:40]([F:41])([F:42])[F:43])(=[O:37])=[O:38].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[nH:18][c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[H-:32].[Na+:33]>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[n:18]([CH2:39][C:40]([F:41])([F:42])[F:43])[c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 68683577[5-(4-Cyclobutyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68680951[5-(4-Cyclobutyl-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-0c806e419513462cba66e9f07580d338
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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