Dichloromethane → (8-Benzyl-6-cyano-1-phenyl-8-azabicyclo[3.2.1]octan-2-yl) 3,5-bis(trifluoromethyl)benzoate
Reaction equation
[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[N:25]1[C:26]2([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:27]([OH:35])[CH2:28][CH2:29][CH:30]1[CH:31]([C:33]#[N:34])[CH2:32]2.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][CH2:50][Cl:51].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:16])[F:17]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[O:35][CH:27]2[C:26]3([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[N:25]([CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH:30]([CH2:29][CH2:28]2)[CH:31]([C:33]#[N:34])[CH2:32]3)[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:16])[F:17]Participants
5
Sources & evidence
- ORD record
- ord-9983839ceaa549299d2eb9b0aeb7c38d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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