Potassium Cation → 4-{4-[7-Chloro-1-oxo-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-1H-isoindol-5-ylmethyl]-piperidin-1-ylmethyl}-benzonitrile

HRID 1205169Notes

Reaction equation

HRID 1205169 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][Br:8])[cH:9][cH:10]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][C:48]#[N:49].[Cl:11][c:12]1[cH:13][c:14]([CH2:34][CH:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:15][c:16]2[c:20]1[C:19](=[O:21])[N:18]([CH2:22][c:23]1[cH:24][cH:25][c:26]([O:29][C:30]([F:31])([F:32])[F:33])[cH:27][cH:28]1)[CH2:17]2.[K+:45].[K+:46].[OH2:50]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][N:38]2[CH2:37][CH2:36][CH:35]([CH2:34][c:14]3[cH:13][c:12]([Cl:11])[c:20]4[c:16]([cH:15]3)[CH2:17][N:18]([CH2:22][c:23]3[cH:24][cH:25][c:26]([O:29][C:30]([F:31])([F:32])[F:33])[cH:27][cH:28]3)[C:19]4=[O:21])[CH2:40][CH2:39]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 869964-(Bromomethyl)benzonitrileHCID 579492977-Chloro-5-piperidin-4-ylmethyl-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

Product 1

HCID 160396434-{4-[7-Chloro-1-oxo-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-1H-isoindol-5-ylmethyl]-piperidin-1-ylmethyl}-benzonitrile

Sources & evidence

ORD record
ord-f16f5499137e48f894dd0661f38272b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…