2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid → HCID 178448780, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][NH:6][CH2:7][C:8]([CH3:9])([n:10]1[cH:11][n:12][c:13]([N+:15]([O-:16])=[O:17])[cH:14]1)[CH3:18].[F:19][c:20]1[cH:21][c:22]2[c:27]([c:28]([F:30])[cH:29]1)[CH2:26][CH:25]([NH:31][CH:32]([C:33](=[O:34])[OH:35])[CH2:36][CH2:37][CH3:38])[CH2:24][CH2:23]2>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][NH:6][CH2:7][C:8]([CH3:9])([n:10]1[cH:11][n:12][c:13]([NH:15][C:33]([CH:32]([NH:31][CH:25]2[CH2:24][CH2:23][c:22]3[cH:21][c:20]([F:19])[cH:29][c:28]([F:30])[c:27]3[CH2:26]2)[CH2:36][CH2:37][CH3:38])=[O:34])[cH:14]1)[CH3:18]Participants
3
Sources & evidence
- ORD record
- ord-3cbc2385feec4027bfc3422e18e596cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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