Magnesium Cation → (4-((3-Chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol

HRID 2123450Notes

Reaction equation

HRID 2123450 reaction equation
[Al+3:2].[CH3:7][S:8][c:9]1[n:10][cH:11][c:12]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:13]([NH:15][CH2:16][c:17]2[cH:18][c:19]([Cl:25])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[n:14]1.[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[Mg+2:33].[Na+:32].[O-:34][S:35](=[O:36])(=[O:37])[O-:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:31].[OH2:44]>>[CH3:7][S:8][c:9]1[n:10][cH:11][c:12]([CH2:26][OH:27])[c:13]([NH:15][CH2:16][c:17]2[cH:18][c:19]([Cl:25])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[n:14]1

Participants

11

Reactant 10

HCID 888Magnesium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 22025927Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

Product 1

HCID 22025932(4-((3-Chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol

Sources & evidence

ORD record
ord-0747c0b44afb4a318700d7cdd05d322d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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