Hydrochloric Acid → methyl 2-[2-[N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-(trifluoromethyl)anilino]ethylamino]-4-phenylmethoxybutanoate

HRID 2324703Notes

Reaction equation

HRID 2324703 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([c:10]1[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]1)[CH2:20][CH:21]=[O:22])=[O:23].[CH3:25][O:26][C:27]([CH:28]([CH2:29][CH2:30][O:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[NH2:39])=[O:40].[ClH:24]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([c:10]1[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]1)[CH2:20][CH2:21][NH:39][CH:28]([C:27]([O:26][CH3:25])=[O:40])[CH2:29][CH2:30][O:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:23]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 66782702Methyl 2-amino-4-(benzyloxy)butanoateHCID 866383823-[(2-Oxo-ethyl)-(3-trifluoromethyl-phenyl)-amino]-propionic acid tert-butyl ester

Product 1

HCID 66783359methyl 2-[2-[N-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-(trifluoromethyl)anilino]ethylamino]-4-phenylmethoxybutanoate

Sources & evidence

ORD record
ord-b9d85d6fb54d482b9e99c9480d60f33c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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