Diethyl Ether → 4-[4-[3-(Trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]phenol
Reaction equation
[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][cH:13][c:14]2[n:15]([n:16]1)[c:17]([C:20]([F:21])([F:22])[F:23])[n:18][n:19]2.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH:24][c:25]1[cH:26][cH:27][c:28]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:29][cH:30]1>>[c:11]1([N:34]2[CH2:33][CH2:32][N:31]([c:28]3[cH:27][cH:26][c:25]([OH:24])[cH:30][cH:29]3)[CH2:36][CH2:35]2)[cH:12][cH:13][c:14]2[n:15]([n:16]1)[c:17]([C:20]([F:21])([F:22])[F:23])[n:18][n:19]2Participants
6
Sources & evidence
- ORD record
- ord-4bee74abe30b47debb9882722aaea03d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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