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Hydrochloric Acid → 2-[4-[2-Amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-prop-2-enylpiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid

HRID 97001
Notes
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Reaction equation

HRID 97001 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[N:16]1[C:17](=[O:37])[CH:18]([CH2:34][CH:35]=[CH2:36])[N:19]([C:22]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[NH2:32])=[O:33])[CH2:20][CH2:21]1)=[O:38].[ClH:41].[Li+:40].[OH-:39]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[N:16]1[C:17](=[O:37])[CH:18]([CH2:34][CH:35]=[CH2:36])[N:19]([C:22]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[NH2:32])=[O:33])[CH2:20][CH2:21]1)[OH:38]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 695877082-{3-Allyl-4-[2-amino-3-(4-fluorophenyl)propionyl]-2-oxo-piperazin-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester

Product 1

HCID 21901536
2-[4-[2-Amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-prop-2-enylpiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid

Sources & evidence

ORD record
ord-aad1d0e606814c6b90dba90834b83561
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes