Sodium ion → 1-[[4-(hexahydro-1H-azepin-1-yl)-phenyl]-sulphonyl]-4-hydroxy-pyrrolidinon

HRID 2149647Notes

Reaction equation

HRID 2149647 reaction equation
[F:25][C:26]([F:27])([F:28])[C:29]([O-:30])=[O:31].[F:33][C:34]([F:35])([F:36])[C:37]([O:38][C:39](=[O:40])[C:41]([F:42])([F:43])[F:44])=[O:45].[N:1]1([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:17][CH2:18][CH:19]([CH2:20][C:21](=[O:22])[OH:23])[OH:24])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Na+:32]>>[N:1]1([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[N:17]3[CH2:18][CH:19]([OH:24])[CH2:20][C:21]3=[O:23])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 9845Trifluoroacetic anhydrideHCID 84468TrifluoroacetateHCID 541188884-[[[4-(hexahydro-1H-azepin-1-yl)-phenyl]-sulphonyl]-amino]-3-hydroxy butanoic acid

Product 1

HCID 197675751-[[4-(hexahydro-1H-azepin-1-yl)-phenyl]-sulphonyl]-4-hydroxy-pyrrolidinon

Sources & evidence

ORD record
ord-567ce323764c4703b841e8a94a07a63e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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