Acetonitrile → tert-Butyl 3-(4-{[(1-adamantylmethyl)amino]carbonyl}-5-chloropyridin-2-yl)prop-2-ynylcarbamate
Reaction equation
[C:1]12([CH2:11][NH:12][C:13]([c:14]3[cH:15][c:16]([I:21])[n:17][cH:18][c:19]3[Cl:20])=[O:22])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:23]([C:24]#[CH:25])[NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33].[CH3:34][C:35]#[N:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43]>>[C:1]12([CH2:11][NH:12][C:13]([c:14]3[cH:15][c:16]([C:25]#[C:24][CH2:23][NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[n:17][cH:18][c:19]3[Cl:20])=[O:22])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2Participants
5
Sources & evidence
- ORD record
- ord-caeaf724383b4f56806ed444c4134b3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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