Acetic Acid → 6-[4-[4-[3-(4-Acetylpiperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine

HRID 2347049Notes

Reaction equation

HRID 2347049 reaction equation
[CH3:45][C:46]([OH:47])=[O:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[N:10]1([CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([CH:26]3[CH2:27][CH2:28][N:29]([C:32]4=[N:37][n:36]5[c:35]([n:40][n:39][c:38]5[C:41]([F:42])([F:43])[F:44])[CH2:34][CH2:33]4)[CH2:30][CH2:31]3)[cH:24][cH:25]2)[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[N:10]1([CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([CH:26]3[CH2:27][CH2:28][N:29]([C:32]4=[N:37][n:36]5[c:35]([n:40][n:39][c:38]5[C:41]([F:42])([F:43])[F:44])[CH2:34][CH2:33]4)[CH2:30][CH2:31]3)[cH:24][cH:25]2)[CH2:11][CH2:12][N:13]([C:46]([CH3:45])=[O:47])[CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 685023596-[4-[4-[3-(Piperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

Product 1

HCID 468935846-[4-[4-[3-(4-Acetylpiperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-8889dd41a9c44f39bb1b831d6915b197
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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