Water → Tonapofylline

Reaction equation

[O:1]=[c:2]1[n:3]([CH2:28][CH2:29][CH3:30])[c:4](=[O:27])[c:5]2[nH:6][c:7]([C:14]34[CH2:15][CH2:16][C:17]([CH:22]=[CH:23][C:24](=[O:25])[OH:26])([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:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:36]>>[O:1]=[c:2]1[n:3]([CH2:28][CH2:29][CH3:30])[c:4](=[O:27])[c:5]2[nH:6][c:7]([C:14]34[CH2:15][CH2:16][C:17]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])([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

Reactant 3

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 670791013-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-acrylic acid

Product 1

HCID 216466Tonapofylline

Sources & evidence

ORD record: ord-1d054905ee3044cba9776db236c9fc55
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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