Potassium Cation → 1-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}-1,5,6,7-tetrahydroindol-4-one

HRID 2138393Notes

Reaction equation

HRID 2138393 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[C:58]([O:59][CH2:60][CH3:61])(=[O:62])[CH3:63].[CH3:48][C:49]#[N:50].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:14]1[CH2:13][CH2:12][CH2:11][C:10]2=[O:15].[Cl:51][CH2:52][Cl:53].[Cl:55][CH2:56][Cl:57].[F:26][C:27]([c:28]1[cH:29][c:30]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:31][cH:32][cH:33]1)([F:40])[F:41].[I-:25].[K+:46].[K+:47].[Na+:24].[OH2:54].[OH:16][C:17]([CH3:18])([CH3:19])[CH2:20][C:21](=[O:22])[CH3:23]>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:14]1[CH2:13][CH2:12][CH2:11][C:10]2=[O:15])[N:37]1[CH2:36][CH2:35][N:34]([c:30]2[cH:29][c:28]([C:27]([F:26])([F:40])[F:41])[cH:33][cH:32][cH:31]2)[CH2:39][CH2:38]1

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 42961-(3-(Trifluoromethyl)phenyl)piperazineHCID 6342AcetonitrileHCID 6344Dichloromethane2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31256Diacetone AlcoholHCID 235028891-(4-Chlorobutyl)-1,5,6,7-tetrahydroindol-4-one

Product 1

HCID 99318851-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}-1,5,6,7-tetrahydroindol-4-one

Sources & evidence

ORD record
ord-369e3c1517324b8882ec744d60afa941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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