Hydrochloric Acid → Hydrochloric Acid

HRID 95217Notes

Reaction equation

HRID 95217 reaction equation
[CH3:32][OH:33].[ClH:31].[O:1]=[c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[c:9]2[n:10]1[c:11]([CH2:14][NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[n:12][n:13]2>>[ClH:31].[O:1]=[c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[c:9]2[n:10]1[c:11]([CH2:14][NH2:15])[n:12][n:13]2

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 57600256benzyl[(5-oxo-9-pentyl-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-3-yl)methyl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 576002713-(aminomethyl)-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one

Sources & evidence

ORD record
ord-c2dc37495bda43ba8e2daaff0f3fe76c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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