Toluene → 6-{(SR)-1-[(3RS,4SR)-4-(4-Cyano-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH:21]([CH3:22])[O:23][c:24]2[n:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH:11]([c:13]2[cH:14][cH:15][c:16]([C:19]#[N:20])[cH:17][cH:18]2)[CH2:12]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:32][C:33]([O:34][CH:35]([Cl:36])[CH3:37])=[O:38]>>[NH:8]1[CH2:9][CH:10]([CH:21]([CH3:22])[O:23][c:24]2[n:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH:11]([c:13]2[cH:14][cH:15][c:16]([C:19]#[N:20])[cH:17][cH:18]2)[CH2:12]1Participants
5
Sources & evidence
- ORD record
- ord-f7c82f01eabc43faabfe60880edcced3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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