Citric Acid → [2-(7-Benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]carbamic acid tert-butyl ester
Reaction equation
[C:19](=[O:20])([OH:21])[O-:22].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH2:11][CH:12]2[CH2:13][NH:14][CH2:15][CH:16]([CH2:17]1)[O:18]2.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[ClH:1].[ClH:2].[Na+:23].[O:24]([S:25]([c:26]1[cH:27][cH:28][c:29]([CH3:30])[cH:31][cH:32]1)(=[O:33])=[O:34])[CH2:35][CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[OH2:58].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH2:11][CH:12]2[CH2:13][N:14]([CH2:35][CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:15][CH:16]([CH2:17]1)[O:18]2Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-0fd5d8bf1cc5415792b004658efa4b94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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