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

HRID 1135896Notes

Reaction equation

HRID 1135896 reaction equation
[CH3:33][S:34]([O:35][CH2:38][C:39]([F:40])([F:41])[F:42])(=[O:36])=[O:37].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[N:23]4[CH2:24][CH2:25][CH:26]([O:29][CH3:30])[CH2:27][CH2:28]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1.[H-:31].[Na+:32]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[N:23]4[CH2:24][CH2:25][CH:26]([O:29][CH3:30])[CH2:27][CH2:28]4)[n:17]([CH2:38][C:39]([F:40])([F:41])[F:42])[c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 68683427[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methoxy-piperidin-1-yl)-methanone

Product 1

HCID 68681404[5-(4-Isopropyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(4-methoxy-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-02cf296f804a4b2c89263b843a1cc8f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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