Sodium ion → Methyl 4-[4-[([1,1'-biphenyl]-2-ylcarbonyl)amino]phenyl]-alpha-phenyl-1-piperazineacetate

HRID 1142425Notes

Reaction equation

HRID 1142425 reaction equation
[Br:1][CH:2]([C:3](=[O:4])[O:5][CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[C:40](=[O:41])([O-:42])[O-:43].[N:13]1([c:19]2[cH:20][cH:21][c:22]([NH:25][C:26](=[O:27])[c:28]3[c:29](-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[cH:30][cH:31][cH:32][cH:33]3)[cH:23][cH:24]2)[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[Na+:44].[Na+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH:2]([C:3](=[O:4])[O:5][CH3:6])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[N:16]1[CH2:15][CH2:14][N:13]([c:19]2[cH:20][cH:21][c:22]([NH:25][C:26](=[O:27])[c:28]3[c:29](-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[cH:30][cH:31][cH:32][cH:33]3)[cH:23][cH:24]2)[CH2:18][CH2:17]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 137806Benzeneacetic acid, alpha-bromo-, methyl esterHCID 22499369N-[4-(1-piperazinyl)phenyl]-[1,1'-biphenyl]-2-carboxamide

Product 1

HCID 22499399Methyl 4-[4-[([1,1'-biphenyl]-2-ylcarbonyl)amino]phenyl]-alpha-phenyl-1-piperazineacetate

Sources & evidence

ORD record
ord-7a204b3bf4ef47c9a4c6a66a97193657
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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