Ethanol → 2-Propanol, 1-((8-chloro-6-phenyl-1,2,4-triazolo(3,4-a)phthalazin-3-yl)methylamino)-
Reaction equation
[CH2:32]([OH:33])[CH3:34].[CH:28]([Cl:29])([Cl:30])[Cl:31].[Cl:1][c:2]1[n:3][n:4][c:5]2[n:6]1[n:7][c:8](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:9]1[cH:10][c:11]([Cl:15])[cH:12][cH:13][c:14]21.[OH:22][CH:23]([CH2:24][NH:25][CH3:26])[CH3:27]>>[c:2]1([N:25]([CH2:24][CH:23]([OH:22])[CH3:27])[CH3:26])[n:3][n:4][c:5]2[n:6]1[n:7][c:8](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:9]1[cH:10][c:11]([Cl:15])[cH:12][cH:13][c:14]21Participants
5
Sources & evidence
- ORD record
- ord-b0f5fed149264581ae90a5e965b37de8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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