Sodium ion → (3,5-Dimethylphenyl) 2-[4-[2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]-2-phenylacetate

HRID 137259Notes

Reaction equation

HRID 137259 reaction equation
[Cl:36][CH:37]([C:38](=[O:39])[O:40][c:41]1[cH:42][c:43]([CH3:48])[cH:44][c:45]([CH3:47])[cH:46]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][N:17]([CH:37]([C:38](=[O:39])[O:40][c:41]4[cH:42][c:43]([CH3:48])[cH:44][c:45]([CH3:47])[cH:46]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]

Participants

5

Reactant 4

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 18630849(+/-)-3,5-Dimethylphenyl alpha-chlorobenzeneacetateHCID 18630855(+/-)-1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)-4-(1-piperazinyl)piperidine

Product 1

HCID 18630829(3,5-Dimethylphenyl) 2-[4-[2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]-2-phenylacetate

Sources & evidence

ORD record
ord-07f847ee9a1242f88f34e5b72e5ed019
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…