Water → Sacubitril N-Boc Ester

HRID 311693Notes

Reaction equation

HRID 311693 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[C:38]([O:39][CH:40]([CH3:41])[CH3:42])(=[O:43])[CH3:44].[CH2:35]([CH3:36])[I:37].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cs+:33].[Cs+:34].[OH2:45].[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][CH:10]([C:11](=[O:12])[OH:13])[CH3:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:5][cH:6]1>>[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][CH:10]([C:11]([O:12][CH2:35][CH3:36])=[O:13])[CH3:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6340IodoethaneHCID 7915Isopropyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 581603704-(Tert-butoxycarbonylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid

Product 1

HCID 58160380Sacubitril N-Boc Ester

Sources & evidence

ORD record
ord-0bf6cbc0f2f04208bf394c32b60919a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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