Potassium Cation → 1-[4-[[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone

HRID 697870

Reaction equation

HRID 697870 reaction equation
[Br:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51]#[N:52].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[K+:48].[K+:49]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][N:11]([CH2:34][c:35]3[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]3)[CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 5837851-[4-(Bromomethyl)phenyl]ethan-1-oneHCID 21978777[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone

Product 1

HCID 1784665881-[4-[[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanone

Sources & evidence

ORD record
ord-916f4f28efde40ee977de2777abc14ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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