Pentanoic Acid → 6-(4-{4-[3-(4-Pentanoylpiperazin-1-yl)propoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[CH3:36][CH2:37][CH2:38][CH2:39][C:40]([OH:41])=[O:42].[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([C:23]4=[N:28][n:27]5[c:26]([n:31][n:30][c:29]5[C:32]([F:33])([F:34])[F:35])[CH2:25][CH2:24]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([C:23]4=[N:28][n:27]5[c:26]([n:31][n:30][c:29]5[C:32]([F:33])([F:34])[F:35])[CH2:25][CH2:24]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:2][CH2:3][N:4]([C:40]([CH2:39][CH2:38][CH2:37][CH3:36])=[O:41])[CH2:5][CH2:6]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-a0d7a7b7895049bdbe2da35fadc19136
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)