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Sodium Ion → 4-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]-2-methylpiperazine-1-carbaldehyde

HRID 669478
Notes
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Reaction equation

HRID 669478 reaction equation
[CH3:1][CH:2]1[CH2:3][N:4]([c:8]2[n:9]([CH2:30][C:31]([F:32])([F:33])[F:34])[c:10]3[n:11][c:12](-[c:23]4[cH:24][n:25][c:26]([NH2:29])[n:27][cH:28]4)[n:13][c:14]([N:17]4[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[c:15]3[n:16]2)[CH2:5][CH2:6][NH:7]1.[Na+:36].[O:37]1[CH2:38][CH2:41][CH2:40][CH2:39]1.[OH-:35]>>[CH3:1][CH:2]1[CH2:3][N:4]([c:8]2[n:9]([CH2:30][C:31]([F:32])([F:33])[F:34])[c:10]3[n:11][c:12](-[c:23]4[cH:24][n:25][c:26]([NH2:29])[n:27][cH:28]4)[n:13][c:14]([N:17]4[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[c:15]3[n:16]2)[CH2:5][CH2:6][N:7]1[CH:38]=[O:37]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 722576285-[8-(3-Methylpiperazin-1-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine

Product 1

HCID 722576374-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]-2-methylpiperazine-1-carbaldehyde

Sources & evidence

ORD record
ord-3c732168da75457c84f637b02379eb3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes