Sodium ion → 2-[[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-3-methylbutanoic acid

HRID 1555874Notes

Reaction equation

HRID 1555874 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH:6]([CH3:7])[CH3:8])[NH:9][C:10]([c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][CH:20]([NH:23][CH2:24][CH:25]([c:26]3[cH:27][c:28]([NH:33][S:34](=[O:35])(=[O:36])[CH3:37])[c:29]([OH:32])[cH:30][cH:31]3)[OH:38])[CH2:21][CH2:22]2)[cH:15][cH:16]1)=[O:39])=[O:40].[Na+:42].[OH-:41]>>[O:3]=[C:4]([CH:5]([CH:6]([CH3:7])[CH3:8])[NH:9][C:10]([c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][CH:20]([NH:23][CH2:24][CH:25]([c:26]3[cH:27][c:28]([NH:33][S:34](=[O:35])(=[O:36])[CH3:37])[c:29]([OH:32])[cH:30][cH:31]3)[OH:38])[CH2:21][CH2:22]2)[cH:15][cH:16]1)=[O:39])[OH:40]

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 178472757HCID 178472757, compound

Product 1

HCID 222203312-[[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-3-methylbutanoic acid

Sources & evidence

ORD record
ord-9e7af4429edc4213ac09d5a8477d6d66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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