N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine → HCID 58002628, compound
Reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[NH:37][C:38]([CH3:39])([C:40](=[O:41])[OH:42])[CH3:43].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][o:10][c:11]([CH:13]3[CH2:14][NH:15][CH2:16][CH:17]([c:19]4[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]4)[CH2:18]3)[n:12]2)[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][o:10][c:11]([CH:13]3[CH2:14][N:15]([C:40]([C:38]([NH:37][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])([CH3:39])[CH3:43])=[O:41])[CH2:16][CH:17]([c:19]4[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]4)[CH2:18]3)[n:12]2)[cH:5][cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-27c1eb9343764393a99e378e3b01c9dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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