Sodium ion → 5,7-Difluoro-1-[2-[3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]indole-2-carboxylic acid

HRID 1215967Notes

Reaction equation

HRID 1215967 reaction equation
[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:12](=[O:13])[OH:14])[nH:7][c:8]2[c:9]([F:11])[cH:10]1.[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58].[H-:15].[Na+:16].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([O:23][CH2:27][CH2:28][O:29][CH:30]2[CH2:31][CH:32]([O:36][CH2:37][c:38]3[n:39][c:40](-[c:44]4[cH:45][c:46]([CH3:50])[cH:47][cH:48][cH:49]4)[o:41][c:42]3[CH3:43])[CH2:33][CH2:34][CH2:35]2)(=[O:24])=[O:25])[cH:26][cH:51]1>>[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:12](=[O:13])[OH:14])[n:7]([CH2:27][CH2:28][O:29][CH:30]3[CH2:31][CH:32]([O:36][CH2:37][c:38]4[n:39][c:40](-[c:44]5[cH:45][c:46]([CH3:50])[cH:47][cH:48][cH:49]5)[o:41][c:42]4[CH3:43])[CH2:33][CH2:34][CH2:35]3)[c:8]2[c:9]([F:11])[cH:10]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 166653HydrideHCID 167892455,7-Difluoro-1H-indole-2-carboxylic acidHCID 725706242-[3-[[5-Methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl 4-methylbenzenesulfonate

Product 1

HCID 674603425,7-Difluoro-1-[2-[3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]indole-2-carboxylic acid

Sources & evidence

ORD record
ord-c2c49c53dcee42539f34e113410965a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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