Sodium ion → 4-(4-((4'-Chloro-4,4-dimethyl(3,4,5,6-tetrahydro(1,1'-biphenyl))-2-yl)methyl)piperazin-1-yl)benzoic acid

HRID 1560344Notes

Reaction equation

HRID 1560344 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([CH2:16][N:17]3[CH2:18][CH2:19][N:20]([c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:32][cH:33]4)[CH2:21][CH2:22]3)[CH2:10][C:11]([CH3:14])([CH3:15])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:35].[OH-:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([CH2:16][N:17]3[CH2:18][CH2:19][N:20]([c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:32][cH:33]4)[CH2:21][CH2:22]3)[CH2:10][C:11]([CH3:14])([CH3:15])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 251404834-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-YL]methyl]-1-piperazinyl]benzoic acid ethyl ester

Product 1

HCID 250584554-(4-((4'-Chloro-4,4-dimethyl(3,4,5,6-tetrahydro(1,1'-biphenyl))-2-yl)methyl)piperazin-1-yl)benzoic acid

Sources & evidence

ORD record
ord-8c1f098494624b3987a549a7f800cc2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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