Ethylene Glycol → N-(1-Adamantylmethyl)-5-chloro-2-(2-hydroxyethoxy)isonicotinamide
Reaction equation
[C:7]12([CH2:17][NH:18][C:19]([c:20]3[cH:21][c:22]([Br:27])[n:23][cH:24][c:25]3[Cl:26])=[O:28])[CH2:8][CH:9]3[CH2:10][CH:11]([CH2:12][CH:13]([CH2:14]1)[CH2:15]3)[CH2:16]2.[CH3:29][N:30]1[CH2:31][CH2:32][CH2:33][C:34]1=[O:35].[H-:1].[Na+:2].[OH:3][CH2:4][CH2:5][OH:6]>>[O:3]([CH2:4][CH2:5][OH:6])[c:22]1[cH:21][c:20]([C:19]([NH:18][CH2:17][C:7]23[CH2:8][CH:9]4[CH2:10][CH:11]([CH2:12][CH:13]([CH2:14]2)[CH2:15]4)[CH2:16]3)=[O:28])[c:25]([Cl:26])[cH:24][n:23]1Participants
6
Sources & evidence
- ORD record
- ord-e8ed0a81963e47aaa0014e7a38fcca48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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