Ethanol → 5-benzyloxy-2-[3-(4-cyanophenoxy)-2-hydroxy-3-methylbutyl]pyridine N-oxide

HRID 175075Notes

Reaction equation

HRID 175075 reaction equation
[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[cH:36][cH:37][c:38]([CH2:42][C:43]([C:44]([CH3:45])([CH3:46])[O:47][c:48]2[cH:49][cH:50][c:51]([C:54]#[N:55])[cH:52][cH:53]2)=[O:56])[n+:39]([O-:41])[cH:40]1.[CH3:1][CH2:2][O:3][CH2:4][CH3:5].[CH3:57][CH2:58][OH:59].[CH3:6][C:7]1([CH3:8])[CH2:9][CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][n:16]2)[c:17]2[cH:18][c:19]([C:20]([NH2:21])=[O:22])[cH:23][cH:24][c:25]2[O:26]1.[OH2:60]>>[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[cH:36][cH:37][c:38]([CH2:42][CH:43]([C:44]([CH3:45])([CH3:46])[O:47][c:48]2[cH:49][cH:50][c:51]([C:54]#[N:55])[cH:52][cH:53]2)[OH:56])[n+:39]([O-:41])[cH:40]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 3283Diethyl EtherHCID 198956333,4-dihydro-2,2-dimethyl-4-(2-pyridyl)-2H-1-benzopyran-6-carboxamideHCID 54393238HCID 54393238, compound

Product 1

HCID 545624775-benzyloxy-2-[3-(4-cyanophenoxy)-2-hydroxy-3-methylbutyl]pyridine N-oxide

Sources & evidence

ORD record
ord-3b4cc2e9ec584e2ab79180452f5e19c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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