Acetic Acid → 7-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-2-oxa-7-azaspiro[3.5]nonane

HRID 2333782Notes

Reaction equation

HRID 2333782 reaction equation
[C:57]([O:58][BH-:59]([O:60][C:61](=[O:62])[CH3:63])[O:64][C:65](=[O:66])[CH3:67])(=[O:68])[CH3:69].[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.[CH2:37]1[O:38][CH2:39][C:40]12[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2.[CH3:46][O:47][CH:48]([O:49][CH3:50])[O:51][CH3:52].[CH3:53][C:54](=[O:55])[OH:56].[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[Na+:70]>>[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:43]4[CH2:42][CH2:41][C:40]5([CH2:37][O:38][CH2:39]5)[CH2:45][CH2:44]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 9005Trimethyl orthoformateHCID 2724942TriacetoxyborohydrideHCID 219552842-Oxa-7-azaspiro[3.5]nonaneHCID 596059872-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde

Product 1

HCID 596061107-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-2-oxa-7-azaspiro[3.5]nonane

Sources & evidence

ORD record
ord-e888a9368d6b4aeab7ff237a49fb8f61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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