Sodium ion → Propan-2-yl 2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate

HRID 2135416Notes

Reaction equation

HRID 2135416 reaction equation
[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:25][C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[NH2:8][CH:9]([CH:10]([C:11](=[O:12])[O:13][CH:14]([CH3:15])[CH3:16])[OH:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Na+:2].[Na+:3].[O-:4][C:5](=[O:6])[O-:7].[OH2:1]>>[NH:8]([CH:9]([CH:10]([C:11](=[O:12])[O:13][CH:14]([CH3:15])[CH3:16])[OH:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 10387Benzyl chloroformateHCID 19660Carbonate IonHCID 14604123Propan-2-yl 3-amino-2-hydroxy-4-phenylbutanoate

Product 1

HCID 21302838Propan-2-yl 2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate

Sources & evidence

ORD record
ord-9503bdb5581b4e49a5553ea3c38fdaea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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