Chloride → 5-{[3-Ethyl-5-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}isophthalonitrile
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][c:11]1[c:12]([O:18][c:19]2[cH:20][c:21]([C:27]#[N:28])[cH:22][c:23]([C:24]#[N:25])[cH:26]2)[c:13]([CH2:16][CH3:17])[n:14][nH:15]1.[Cl-:32].[Cl-:34].[Cl-:35].[Cl:29][CH2:30][Cl:31].[Fe+3:33]>>[OH:8][CH2:9][CH2:10][c:11]1[c:12]([O:18][c:19]2[cH:20][c:21]([C:27]#[N:28])[cH:22][c:23]([C:24]#[N:25])[cH:26]2)[c:13]([CH2:16][CH3:17])[n:14][nH:15]1Participants
5
Sources & evidence
- ORD record
- ord-24424ba4ebe34e288eceed26eaed4a95
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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