Hydrochloric Acid → {Trans-4-[2-(4-Isoxazolo[4,5-c]pyridin-3-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-carbamic Acid Tert-butyl Ester
Reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([NH:24][CH:25]1[CH2:26][CH2:27][CH:28]([CH2:31][CH:32]=[O:33])[CH2:29][CH2:30]1)=[O:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:47][CH2:48][Cl:49].[ClH:1].[ClH:2].[N:3]1([c:9]2[n:10][o:11][c:12]3[c:13]2[cH:14][n:15][cH:16][cH:17]3)[CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1.[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[N:3]1([c:9]2[n:10][o:11][c:12]3[c:13]2[cH:14][n:15][cH:16][cH:17]3)[CH2:4][CH2:5][N:6]([CH2:32][CH2:31][CH:28]2[CH2:27][CH2:26][CH:25]([NH:24][C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:34])[CH2:30][CH2:29]2)[CH2:7][CH2:8]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-463a2895ea4f46778bfa4aa0db1c36c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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