Acetic Acid → 4-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((4-(oxetan-3-yl)piperidin-1-yl)methyl)-9H-purin-6-yl)morpholine

HRID 690476Notes

Reaction equation

HRID 690476 reaction equation
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[n:12][c:13]([CH:18]=[O:19])[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2.[CH3:40][O:41][CH:42]([O:43][CH3:44])[O:45][CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[Na+:64].[O:30]1[CH2:31][CH:32]([CH:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[CH2:33]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[n:12][c:13]([CH2:18][N:37]4[CH2:36][CH2:35][CH:34]([CH:32]5[CH2:31][O:30][CH2:33]5)[CH2:39][CH2:38]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 9005Trimethyl orthoformateHCID 2724942TriacetoxyborohydrideHCID 552642454-(Oxetan-3-yl)piperidineHCID 596059872-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde

Product 1

HCID 596053584-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((4-(oxetan-3-yl)piperidin-1-yl)methyl)-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-9d1612e3fae041a89a925c3837c5f300
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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