Ethanol → 3-Methyl-1-{4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutanamine

HRID 315084Notes

Reaction equation

HRID 315084 reaction equation
[CH3:46][CH2:47][OH:48].[Cl:49][CH:50]([Cl:51])[Cl:52].[F:1][C:2]([F:3])([F:4])[C:42]([NH:5][C:6]1([c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][c:19]4[cH:20][cH:21][n:22]5[c:23]([c:24]4[cH:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:33][n:34][c:35]5-[c:36]3[n:37][cH:38][cH:39][cH:40][n:41]3)[cH:15][cH:16]2)[CH2:7][CH:8]([CH3:10])[CH2:9]1)=[O:43].[Na+:45].[OH-:44]>>[NH2:5][C:6]1([c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][c:19]4[cH:20][cH:21][n:22]5[c:23]([c:24]4[cH:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:33][n:34][c:35]5-[c:36]3[n:37][cH:38][cH:39][cH:40][n:41]3)[cH:15][cH:16]2)[CH2:7][CH:8]([CH3:10])[CH2:9]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 6212ChloroformHCID 582298812,2,2-trifluoro-N-(3-methyl-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide

Product 1

HCID 445561343-Methyl-1-{4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutanamine

Sources & evidence

ORD record
ord-8eb1ee6a412849a59a8408122a57e797
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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