Acetic Acid → 1-[2-(2-Chloro-9-methyl-6-morpholin-4-yl-9H-purin-8-yl)ethyl]-4-methylpiperidin-4-ol

HRID 291851

Reaction equation

HRID 291851 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:21][C:22]1([OH:28])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[CH3:36][C:37](=[O:38])[OH:39].[CH:29]([O:30][CH3:31])([O:32][CH3:33])[O:34][CH3:35].[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[n:6][c:7]([CH2:12][CH:13]=[O:14])[n:8]([CH3:11])[c:9]2[n:10]1.[Na+:53]>>[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[n:6][c:7]([CH2:12][CH2:13][N:25]3[CH2:24][CH2:23][C:22]([CH3:21])([OH:28])[CH2:27][CH2:26]3)[n:8]([CH3:11])[c:9]2[n:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 9005Trimethyl orthoformateHCID 2724942TriacetoxyborohydrideHCID 156491744-Methylpiperidin-4-olHCID 59605819(2-chloro-9-methyl-6-morpholin-4-yl-9H-purin-8-yl)acetaldehyde

Product 1

HCID 596059071-[2-(2-Chloro-9-methyl-6-morpholin-4-yl-9H-purin-8-yl)ethyl]-4-methylpiperidin-4-ol

Sources & evidence

ORD record
ord-16d910351ed9403e98f737f710a73f88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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