Ethanol → Tert-butyl 3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

HRID 112833

Reaction equation

HRID 112833 reaction equation
[CH3:39][CH2:40][OH:41].[CH:15]12[CH2:16][NH:17][CH2:18][CH:19]([CH2:20][CH2:21]1)[N:22]2[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2>>[c:2]1([N:17]2[CH2:16][CH:15]3[CH2:21][CH2:20][CH:19]([CH2:18]2)[N:22]3[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2

Participants

5

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 6136576-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazineHCID 157409088-Boc-3,8-diaza-bicyclo(3.2.1)octane

Product 1

HCID 67342359Tert-butyl 3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Sources & evidence

ORD record
ord-7cc8ac2540d54d19ab1cdfdfeb0f48e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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