Ethanolamine → 2-[(2-Hydroxyethyl)amino]-4-phenyl-6-(phenylsulfanyl)-3,5-pyridinedicarbonitrile
Reaction equation
[CH3:29][OH:30].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[Cl:1][c:2]1[n:3][c:4]([S:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:5]([C:16]#[N:17])[c:6](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[OH2:31].[OH:25][CH2:26][CH2:27][NH2:28]>>[c:2]1([NH:28][CH2:27][CH2:26][OH:25])[n:3][c:4]([S:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:5]([C:16]#[N:17])[c:6](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:7]1[C:8]#[N:9]Participants
6
Sources & evidence
- ORD record
- ord-4facb3b8c7e141febe2c743569f69700
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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