Dimethylformamide → Tert-butyl 4-[2-[4-[1-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]piperazine-1-carboxylate

HRID 101408

Reaction equation

HRID 101408 reaction equation
[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.[NH:24]1[CH2:25][CH2:26][CH:27]([c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][CH2:36][N:37]3[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]3)[cH:50][cH:51]2)[CH2:28][CH2:29]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[c:11]1([N:24]2[CH2:25][CH2:26][CH:27]([c:30]3[cH:31][cH:32][c:33]([O:34][CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]4)[cH:50][cH:51]3)[CH2:28][CH2:29]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]2

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 6136576-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazineHCID 66788225Tert-butyl 4-[2-[4-(piperidin-4-yl)phenoxy]ethyl]piperazine-1-carboxylate

Product 1

HCID 66788098Tert-butyl 4-[2-[4-[1-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-afd9da7097984c9ca3fe84ae3d28f874
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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