Sodium ion → 2-[6-(4-Chloro-benzyl)-2-(piperidin-4-ylamino)-pyrimidin-4-yl]-propan-2-ol

HRID 698391Notes

Reaction equation

HRID 698391 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][c:17]([C:29]([CH3:30])([CH3:31])[OH:32])[cH:18][c:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[n:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:46][CH2:47][Cl:48].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][c:17]([C:29]([CH3:30])([CH3:31])[OH:32])[cH:18][c:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[n:20]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 673420264-[4-(4-Chloro-benzyl)-6-(1-hydroxy-1-methyl-ethyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 673418332-[6-(4-Chloro-benzyl)-2-(piperidin-4-ylamino)-pyrimidin-4-yl]-propan-2-ol

Sources & evidence

ORD record
ord-65f57311768a4dca9a4cf3433d41665a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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