Sodium ion → Methyl (2s)-phenyl[4-[4-[[[4'-(trifluoromethyl)-2-biphenylyl]carbonyl]amino]phenyl]-1-piperidinyl]acetate

HRID 2322252Notes

Reaction equation

HRID 2322252 reaction equation
[Br:38][CH:39]([C:40](=[O:41])[O:42][CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[C:32](=[O:33])([O-:34])[O-:35].[NH:1]1[CH2:2][CH2:3][CH:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[c:17](-[c:22]4[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[Na+:36].[Na+:37].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[N:1]1([CH:39]([C:40](=[O:41])[O:42][CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[CH2:2][CH2:3][CH:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[c:17](-[c:22]4[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 137806Benzeneacetic acid, alpha-bromo-, methyl esterHCID 22499368N-[4-(4-piperidinyl)phenyl]-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxamide

Product 1

HCID 17989467Methyl (2s)-phenyl[4-[4-[[[4'-(trifluoromethyl)-2-biphenylyl]carbonyl]amino]phenyl]-1-piperidinyl]acetate

Sources & evidence

ORD record
ord-9065d7bf000d4569bc23acf202390695
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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