Butyrate → 3-(3-Pyridin-3-yl-1H-pyrazol-4-ylsulfanyl)-propionitrile
Reaction equation
[C:14](#[N:15])[CH2:16][CH2:17][S:18][S:19][CH2:20][CH2:21][C:22]#[N:23].[CH2:36]([CH2:37][C:38]([O-:39])=[O:40])[CH3:41].[CH3:1][S:2][c:3]1[c:4](-[c:8]2[cH:9][n:10][cH:11][cH:12][cH:13]2)[n:5][nH:6][cH:7]1.[I:24][c:25]1[c:26](-[c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[n:33][nH:34][cH:35]1>>[CH2:1]([S:2][c:3]1[c:4](-[c:8]2[cH:9][n:10][cH:11][cH:12][cH:13]2)[n:5][nH:6][cH:7]1)[CH2:16][C:14]#[N:15]Participants
5
Sources & evidence
- ORD record
- ord-0963180fe78c44668fb3ee1be52d036a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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