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Hydrochloric Acid → tert-butyl N-[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

HRID 2129801
Notes
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Reaction equation

HRID 2129801 reaction equation
[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]([CH:14]([CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:22](=[O:23])[OH:24])[CH3:25].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[ClH:37].[NH2:1][CH2:2][CH2:3][CH2:4][OH:5].[Na+:59].[OH2:26].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[S:54]([O-:55])([OH:56])(=[O:57])=[O:58]>>[NH:1]([CH2:2][CH2:3][CH2:4][OH:5])[C:22]([CH:14]([N:13]([C:11]([O:10][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:12])[CH3:25])[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:23]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 90863-Amino-1-propanolHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 61778Sulfate, hydrogen
HCID 75771
1-Hydroxybenzotriazole
HCID 52406092-{[(Tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid

Product 1

HCID 20827595tert-butyl N-[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

Sources & evidence

ORD record
ord-2bce345693264beea54ab91f8733f076
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes