Acetate → 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol

HRID 2137891Notes

Reaction equation

HRID 2137891 reaction equation
[C:25](=[O:26])([OH:27])[O-:28].[C:31]([OH:32])(=[O:33])[CH3:34].[CH3:19][C:20](=[O:21])[O-:22].[CH3:1][c:2]1[cH:3][c:4]([Cl:5])[n:6][c:7]([NH2:8])[n:9]1.[NH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]1.[Na+:18].[Na+:24].[Na+:29].[OH-:23].[OH2:30]>>[CH3:1][c:2]1[cH:3][c:4]([NH:10][CH:11]2[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]2)[n:6][c:7]([NH2:8])[n:9]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 218102-Amino-4-chloro-6-methylpyrimidineHCID 812934-Aminocyclohexanol

Product 1

HCID 426095754-[(2-Amino-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol

Sources & evidence

ORD record
ord-5cef691a5a2c4fb3bdaf686174c28167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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