Acetic Acid → 4-[{N-(2-(tert-butoxycarbonylamino)-4,5-difluorobenzoyl)glycyl}aminomethyl]-1-(3-methylamino-4-hydroxybenzyl)piperidine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:25][c:26]3[cH:27][c:28]([NH2:33])[c:29]([OH:32])[cH:30][cH:31]3)[CH2:23][CH2:24]2)[cH:34][c:35]([F:39])[c:36]([F:38])[cH:37]1.[C:46]([BH3-:47])#[N:48].[CH2:40]=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][OH:51].[Na+:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:25][c:26]3[cH:27][c:28]([NH:33][CH3:42])[c:29]([OH:32])[cH:30][cH:31]3)[CH2:23][CH2:24]2)[cH:34][c:35]([F:39])[c:36]([F:38])[cH:37]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f1da38277ee048e08f98634c97af9fe7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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