Hydrochloric Acid → 6-Amino-2-[(2-cyclopropylethyl)oxy]-9-(tetrahydro-3-furanylmethyl)-7,9-dihydro-8H-purin-8-one

HRID 1540316Notes

Reaction equation

HRID 1540316 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:50][OH:51].[CH:1]1([CH2:4][CH2:5][O:6][c:7]2[n:8][c:9]([NH2:24])[c:10]3[n:11][c:12]([O:22][CH3:23])[n:13]([CH2:16][CH:17]4[CH2:18][O:19][CH2:20][CH2:21]4)[c:14]3[n:15]2)[CH2:2][CH2:3]1.[ClH:47].[NH2:25][c:26]1[n:27][c:28]([NH:29][CH2:30][CH2:31][CH2:32][CH3:33])[n:34][c:35]2[c:36]1[nH:37][c:38](=[O:39])[n:40]2[CH2:41][CH:42]1[CH2:43][CH2:44][O:45][CH2:46]1.[Na+:49].[OH-:48].[OH2:58]>>[CH:1]1([CH2:4][CH2:5][O:6][c:7]2[n:8][c:9]([NH2:24])[c:10]3[nH:11][c:12](=[O:22])[n:13]([CH2:16][CH:17]4[CH2:18][O:19][CH2:20][CH2:21]4)[c:14]3[n:15]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 250251656-Amino-2-(butylamino)-9-(tetrahydro-3-furanylmethyl)-7,9-dihydro-8H-purin-8-oneHCID 576996582-[(2-Cyclopropylethyl)oxy]-8-(methoxy)-9-(tetrahydro-3-furanylmethyl)-9H-purin-6-amine

Product 1

HCID 250240096-Amino-2-[(2-cyclopropylethyl)oxy]-9-(tetrahydro-3-furanylmethyl)-7,9-dihydro-8H-purin-8-one

Sources & evidence

ORD record
ord-43b27c38776e49d4b8b80fdb50411a89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…