Magnesium Cation → 4-(3-Hydroxymethyl-[1,2,4]triazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

HRID 2316650Notes

Reaction equation

HRID 2316650 reaction equation
[Al+3:25].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][c:16]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[n:17][cH:18]2)[CH2:12][CH2:13]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[H-:24].[H-:27].[H-:28].[H-:29].[Li+:26].[Mg+2:32].[Na+:31].[O-:33][S:34]([O-:35])(=[O:36])=[O:37].[OH-:30].[OH2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][c:16]([CH2:19][OH:20])[n:17][cH:18]2)[CH2:12][CH2:13]1

Participants

11

Reactant 10

HCID 888Magnesium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 687480884-(3-Ethoxycarbonyl-[1,2,4]triazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 577083924-(3-Hydroxymethyl-[1,2,4]triazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b6c246ed584b435cbc3a41b417392ba5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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