Water → 6-[4-[4-[2-(4-Acetylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HRID 318456Notes

Reaction equation

HRID 318456 reaction equation
[CH3:1][C:2]([Cl:3])=[O:4].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:46][CH2:47][Cl:48].[N:5]1([CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22][N:23]([c:26]4[cH:27][cH:28][c:29]5[n:30]([n:31]4)[c:32]([C:35]([F:36])([F:37])[F:38])[n:33][n:34]5)[CH2:24][CH2:25]3)[cH:18][cH:19]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[OH2:49]>>[CH3:1][C:2](=[O:4])[N:8]1[CH2:7][CH2:6][N:5]([CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22][N:23]([c:26]4[cH:27][cH:28][c:29]5[n:30]([n:31]4)[c:32]([C:35]([F:36])([F:37])[F:38])[n:33][n:34]5)[CH2:24][CH2:25]3)[cH:18][cH:19]2)[CH2:10][CH2:9]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 667881436-[4-[4-(2-Piperazin-1-ylethoxy)phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

Product 1

HCID 591497636-[4-[4-[2-(4-Acetylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-0fe6cdd95ee5442ebb945ddf1337aa29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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