2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid → HCID 178448781, compound
Reaction equation
[CH3:1][C:2]([CH2:3][NH:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[n:13]1[cH:14][n:15][c:16]([N+:18]([O-:19])=[O:20])[cH:17]1)([CH3:21])[CH3:22].[F:23][c:24]1[cH:25][c:26]2[c:31]([c:32]([F:34])[cH:33]1)[CH2:30][CH:29]([NH:35][CH:36]([C:37](=[O:38])[OH:39])[CH2:40][CH2:41][CH3:42])[CH2:28][CH2:27]2>>[CH3:1][C:2]([CH2:3][NH:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[n:13]1[cH:14][n:15][c:16]([NH:18][C:37]([CH:36]([NH:35][CH:29]2[CH2:28][CH2:27][c:26]3[cH:25][c:24]([F:23])[cH:33][c:32]([F:34])[c:31]3[CH2:30]2)[CH2:40][CH2:41][CH3:42])=[O:38])[cH:17]1)([CH3:21])[CH3:22]Participants
3
Sources & evidence
- ORD record
- ord-5a677d08f17744a9825a5ee92c7dde5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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