Sodium ion → (3-Methyloxetan-3-yl)methyl 4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

HRID 113857Notes

Reaction equation

HRID 113857 reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32](=[O:33])[NH:34][CH:35]([C:36](=[O:37])[OH:38])[CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43].[CH3:1][C:2]1([CH2:6][O:7][S:8]([c:9]2[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]2)(=[O:16])=[O:17])[CH2:3][O:4][CH2:5]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cs+:22].[Cs+:23].[I-:45].[Na+:44].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[CH3:1][C:2]1([CH2:6][O:37][C:36]([CH:35]([NH:34][C:32]([O:31][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:33])[CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:38])[CH2:3][O:4][CH2:5]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 5461213(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonateHCID 138176552-{[(Benzyloxy)carbonyl]amino}-4,4-dimethylpentanoic acid

Product 1

HCID 67391819(3-Methyloxetan-3-yl)methyl 4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

Sources & evidence

ORD record
ord-dbb6016c0fe640a7bb990c7504b2a3cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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