Acetic Acid → tert-butyl N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpentan-2-yl]carbamate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[CH:13]=[O:14])=[O:15].[C:37]([BH3-:38])#[N:39].[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:46][OH:47].[ClH:41].[F:16][c:17]1[cH:18][cH:19][c:20]([CH:23]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:21][cH:22]1.[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][N:27]1[CH2:26][CH2:25][N:24]([CH:23]([c:20]2[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]2)[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH2:29][CH2:28]1)=[O:15]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-150dcb556ec74ba6b87ac447323c4cd9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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