Bromide ion → (+/-)-3-Benzyl-5-chloro-2-(1-hydroxy-allyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Reaction equation
[Br-:21].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:19]=[O:20])[n:10][n:11]2[c:12]([c:13]1=[O:14])[c:15]([Cl:18])[cH:16][cH:17]2.[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[CH:22](=[CH2:23])[Mg+:24]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:19]([OH:20])[CH:22]=[CH2:23])[n:10][n:11]2[c:12]([c:13]1=[O:14])[c:15]([Cl:18])[cH:16][cH:17]2Participants
5
Sources & evidence
- ORD record
- ord-9cdcdd2cb69249d2b571dfb160260a0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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