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Sodium Ion → 5-[6-Morpholin-4-yl-9-(tetrahydrofuran-3-ylmethyl)-9H-purin-2-yl]pyrimidin-2-amine

HRID 116410
Notes
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Reaction equation

HRID 116410 reaction equation
[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[CH3:13][C:14]1([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19][B:20]([c:21]2[cH:22][n:23][c:24]([NH2:27])[n:25][cH:26]2)[O:28]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:29][c:30]1[n:31][c:32]([N:45]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[c:33]2[n:34][cH:35][n:36]([CH2:39][CH:40]3[CH2:41][O:42][CH2:43][CH2:44]3)[c:37]2[n:38]1.[Na+:7].[Na+:8].[O-:9][C:10](=[O:11])[O-:12].[OH2:51]>>[c:21]1(-[c:30]2[n:31][c:32]([N:45]3[CH2:46][CH2:47][O:48][CH2:49][CH2:50]3)[c:33]3[n:34][cH:35][n:36]([CH2:39][CH:40]4[CH2:41][O:42][CH2:43][CH2:44]4)[c:37]3[n:38]2)[cH:22][n:23][c:24]([NH2:27])[n:25][cH:26]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium Ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 177502122-Aminopyrimidine-5-boronic acid, pinacol esterHCID 59333506
2-Chloro-6-morpholin-4-yl-9-(tetrahydrofuran-3-ylmethyl)-9H-purine

Product 1

HCID 593335855-[6-Morpholin-4-yl-9-(tetrahydrofuran-3-ylmethyl)-9H-purin-2-yl]pyrimidin-2-amine

Sources & evidence

ORD record
ord-399564844b99448b8befb3b52433d796
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes