2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid → HCID 178448777, compound
Reaction equation
[F:21][c:22]1[cH:23][c:24]2[c:29]([c:30]([F:32])[cH:31]1)[CH2:28][CH:27]([NH:33][CH:34]([C:35](=[O:36])[OH:37])[CH2:38][CH2:39][CH3:40])[CH2:26][CH2:25]2.[N+:1]([O-:2])(=[O:3])[c:4]1[n:5][cH:6][n:7]([CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:8]1>>[NH:1]([c:4]1[n:5][cH:6][n:7]([CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:8]1)[C:35]([CH:34]([NH:33][CH:27]1[CH2:26][CH2:25][c:24]2[cH:23][c:22]([F:21])[cH:31][c:30]([F:32])[c:29]2[CH2:28]1)[CH2:38][CH2:39][CH3:40])=[O:36]Participants
3
Sources & evidence
- ORD record
- ord-3df163470ad1489e815e395f4efd5651
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…