Borane → 8-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

HRID 155119Notes

Reaction equation

HRID 155119 reaction equation
[BH3:34].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[O:1]=[c:2]1[n:3]([CH2:26][CH2:27][CH3:28])[c:4](=[O:25])[c:5]2[nH:6][c:7]([C:14]34[CH2:15][CH2:16][C:17]([C:22](=[O:23])[OH:24])([CH2:18][CH2:19]3)[CH2:20][CH2:21]4)[n:8][c:9]2[n:10]1[CH2:11][CH2:12][CH3:13].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[O:1]=[c:2]1[n:3]([CH2:26][CH2:27][CH3:28])[c:4](=[O:25])[c:5]2[nH:6][c:7]([C:14]34[CH2:15][CH2:16][C:17]([CH2:22][OH:23])([CH2:18][CH2:19]3)[CH2:20][CH2:21]4)[n:8][c:9]2[n:10]1[CH2:11][CH2:12][CH3:13]

Participants

4

Reactant 3

HCID 6331BoraneHCID 8028Tetrahydrofuran2×HCID 98865894-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid

Product 1

HCID 119956518-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

Sources & evidence

ORD record
ord-5612440fffc94569afbe25e8b3bf85c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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