Hydrochloric Acid → 3-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HRID 141666Notes

Reaction equation

HRID 141666 reaction equation
[ClH:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[s:1]1[cH:2][c:3]([CH2:10][n:11]2[n:12][c:13]3[n:14]([CH2:37][CH:38]([CH3:39])[CH3:40])[c:15](=[O:36])[n:16]([CH3:35])[c:17](=[O:34])[c:18]3[c:19]2-[c:20]2[n:21][c:22]([NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[s:23][c:24]2[CH3:25])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[cH:2][c:3]([CH2:10][n:11]2[n:12][c:13]3[n:14]([CH2:37][CH:38]([CH3:39])[CH3:40])[c:15](=[O:36])[n:16]([CH3:35])[c:17](=[O:34])[c:18]3[c:19]2-[c:20]2[n:21][c:22]([NH2:26])[s:23][c:24]2[CH3:25])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 86595429tert-butyl 4-[2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-methyl-1,3-thiazol-2-ylcarbamate

Product 1

HCID 589811643-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Sources & evidence

ORD record
ord-6a7f4464926747948112ca3ae39b4839
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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