Methanol → (3-(4-((4-(Hydroxymethyl)-4-methylpiperidin-1-yl)methyl)-3-methylphenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

HRID 2332525Notes

Reaction equation

HRID 2332525 reaction equation
[CH3:42][OH:43].[NH:1]1[CH2:2][CH:3]([O:5][c:6]2[cH:7][c:8]([CH3:22])[c:9]([CH2:10][N:11]3[CH2:12][CH2:13][C:14]([CH3:17])([CH2:18][OH:19])[CH2:15][CH2:16]3)[cH:20][cH:21]2)[CH2:4]1.[Na:39][C:40]#[N:41].[c:23]1(-[c:29]2[n:30][n:31][c:32]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[o:33]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[N:1]1([C:34]([c:32]2[n:31][n:30][c:29](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[o:33]2)=[O:35])[CH2:2][CH:3]([O:5][c:6]2[cH:7][c:8]([CH3:22])[c:9]([CH2:10][N:11]3[CH2:12][CH2:13][C:14]([CH3:17])([CH2:18][OH:19])[CH2:15][CH2:16]3)[cH:20][cH:21]2)[CH2:4]1

Participants

5

Reactant 4

HCID 887MethanolHCID 651752Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylateHCID 66656363(1-(4-(Azetidin-3-yloxy)-2-methylbenzyl)-4-methylpiperidin-4-yl)methanolHCID 178511850HCID 178511850, compound

Product 1

HCID 56597146(3-(4-((4-(Hydroxymethyl)-4-methylpiperidin-1-yl)methyl)-3-methylphenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Sources & evidence

ORD record
ord-8bc3b975aec8476da3aa21da4ffc4cf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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