Benzene → trans [4-(2,2-Difluoro-2-phenyl-ethoxy)-cyclohexyl)-carbamic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]1)=[O:15].[CH2:34]([P:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[F:47][C:48]([CH2:49][OH:50])([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[F:57].[N:16]([C:17]([N:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1)=[O:24])=[N:25][C:26]([N:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1)=[O:33].[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([O:14][CH2:49][C:48]([F:47])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[F:57])[CH2:12][CH2:13]1)=[O:15]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a073deecfd4c48cfa60ca7dcd4f0e57c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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